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返回ChemicalBook首页>CAS数据库列表>965-03-7更多图谱> N-Α-苯甲酰-L-精氨酰胺盐酸盐(965-03-7)核磁图(1HNMR)

965-03-7

N-Α-苯甲酰-L-精氨酰胺盐酸盐(965-03-7)核磁图(1HNMR)

分子式:C13H19N5O2

分子量: 277.32

InChI:InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17)/t10-/m0/s1

InChIKey: UMKJQJGLFKDADN-JTQLQIEISA-N

Smiles:C(N[C@H](C(N)=O)CCCNC(N)=N)(=O)C1=CC=CC=C1

  • 图谱
    Mass

    MS-NW-2337          
    N(alpha)-benzoyl-L-argininamide monohydrochloride
    C13H19N5O2 HCl H2O  (Mass of molecular ion:    277)
    

       Source Temperature: 260 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          13.0       1.0
          15.0       1.8
          16.0      27.8
          17.0      40.6
          18.0      41.8
          26.0       5.3
          27.0      16.0
          28.0      16.5
          29.0       2.3
          30.0      10.3
          35.0       8.8
          36.0      77.3
          37.0       2.9
          38.0      24.7
          39.0      12.8
          40.0       4.7
          41.0      21.6
          42.0      17.7
          43.0      20.9
          44.0       8.2
          49.0       1.2
          50.0      13.9
          51.0      26.4
          52.0       9.2
          53.0       4.6
          54.0       5.5
          55.0       5.5
          56.0       5.6
          57.0       3.1
          58.0       1.2
          59.0       2.6
          60.0       1.0
          62.0       1.4
          63.0       3.3
          64.0       2.6
          65.0       3.1
          66.0       3.0
          67.0       7.7
          68.0      18.5
          69.0      13.6
          70.0      22.1
          71.0       2.0
          72.0       2.0
          73.0       1.2
          74.0       3.6
          75.0       5.7
          76.0      21.8
          77.0      74.0
          78.0       9.0
          79.0       4.6
          80.0       1.8
          81.0       1.9
          82.0       1.2
          83.0       2.3
          84.0       3.3
          85.0      16.8
          86.0       3.6
          87.0       1.6
          89.0       1.7
          90.0       1.0
          91.0       1.8
          92.0       5.5
          93.0       2.3
          94.0       2.3
          95.0       7.7
          96.0      11.3
          97.0       9.5
          97.5       1.1
          98.0       4.3
          99.0       1.7
         100.0       1.1
         102.0       2.2
         103.0      53.8
         104.0      67.1
         105.0     100.0
         106.0       8.7
         107.0       1.1
         109.0       1.3
         110.0       2.0
         111.0       2.0
         112.0       4.9
         113.0      27.1
         114.0       3.0
         115.0       1.6
         116.0       1.1
         117.0       4.0
         118.0       1.1
         120.0       2.6
         121.0      16.4
         122.0       7.4
         123.0       1.2
         127.0       2.2
         128.0       1.6
         129.0       2.9
         130.0       1.8
         131.0       1.2
         133.0       1.2
         134.0       1.8
         135.0       1.1
         136.0       1.3
         137.0       1.2
         138.0       1.2
         139.0       1.8
         140.0       1.2
         141.0       1.0
         143.0       1.1
         144.0       1.6
         145.0       2.1
         146.0       1.2
         147.0       1.1
         148.0       1.8
         154.0       1.1
         155.0       1.4
         156.0       1.3
         157.0       1.4
         158.0       1.0
         160.0       3.0
         161.0       3.1
         162.0       2.4
         163.0       1.1
         164.0       2.9
         168.0       1.9
         169.0       1.5
         170.0       2.7
         171.0       6.9
         172.0      16.9
         173.0      25.9
         174.0       7.0
         175.0       1.1
         182.0       1.7
         183.0       1.0
         184.0       1.4
         185.0       1.8
         186.0       3.5
         187.0       2.3
         189.0       1.1
         190.0       1.1
         194.0       2.0
         195.0      20.4
         196.0       6.0
         197.0       3.0
         198.0      16.4
         199.0      33.2
         200.0      21.5
         201.0       3.2
         212.0       1.2
         213.0       1.6
         215.0       1.9
         216.0       1.5
         217.0       1.1
         218.0      10.6
         219.0       1.6
         227.0       1.1
         232.0       1.7
         241.0       6.8
         242.0      15.8
         243.0       2.8
    

400 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C13 H19 N5 O2 0.039 g : 0.5 ml DMSO-d6
    N(alpha)-benzoyl-L-argininamide monohydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.51 B 7.955 C 7.93 D *1 7.59 E 7.542 F 7.474 G *1 7.12 J 4.416 K 3.150 L *2 1.85 M *2 1.78 N 1.55

         Hz     ppm     Int.
    

       3406.52   8.524    357
       3398.59   8.504    375
       3183.29   7.966    758
       3176.27   7.948   1000
       3174.90   7.945    779
       3170.78   7.934    321
       3033.60   7.591    383
       3016.05   7.547    493
       3010.10   7.532    262
       3008.73   7.529    431
       3007.35   7.525    262
       2993.77   7.491    662
       2987.37   7.475    511
       2985.99   7.472    922
       2978.97   7.454    415
       2977.91   7.452    290
       2845.76   7.121    404
       1776.89   4.447     95
       1771.85   4.434    114
       1767.73   4.424    173
       1763.61   4.413    157
       1763.00   4.412    156
       1759.49   4.403    132
       1754.46   4.390    102
       1269.07   3.176    137
       1262.51   3.160    333
       1256.10   3.144    342
       1249.54   3.127    144
        754.55   1.889     51
        746.92   1.869     87
        740.81   1.854    113
        737.46   1.846    109
        731.96   1.832    105
        725.71   1.816     96
        720.21   1.803     71
        715.48   1.791    110
        710.75   1.779    137
        706.02   1.767     93
        701.45   1.756    113
        697.33   1.745     66
        692.29   1.733     44
        687.41   1.721     36
        650.63   1.628     39
        644.07   1.612     71
        642.24   1.608     61
        590.67   1.478     34
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

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