7524-50-7

L-苯丙氨酸甲酯盐酸盐(7524-50-7)Raman光谱

产品名称:L-苯丙氨酸甲酯盐酸盐

CAS:7524-50-7

分子式:C10H14ClNO2

分子量: 215.68

InChI:InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/s3

InChIKey: SWVMLNPDTIFDDY-OVMXBOEKNA-N

Smiles:C1(C=CC=CC=1)C[C@H](N)C(=O)OC.Cl |&1:7,r|

Mass

MS-NW-7857          
L-phenylalanine methyl ester hydrochloride
C10H13NO2 HCl       (Mass of molecular ion:    179)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.4
      18.0       2.1
      28.0      11.0
      29.0       2.2
      30.0       1.2
      33.0      20.4
      35.0       2.8
      36.0      16.8
      38.0       5.3
      39.0       3.4
      41.0       1.9
      42.0       4.6
      43.0       2.5
      51.0       3.6
      52.0       1.1
      59.5       1.9
      60.0       7.2
      63.0       1.7
      65.0       8.8
      77.0       7.6
      78.0       1.8
      88.0     100.0
      89.0       5.9
      90.0       1.9
      91.0      24.0
      92.0       6.5
      93.0       2.8
     103.0       9.1
     104.0       1.9
     117.0       1.6
     118.0       3.5
     119.0       3.1
     120.0      72.2
     121.0       6.9
     179.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₃ N O₂	0.035 g : 0.5 ml DMSO-d₆
L-phenylalanine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             8.88
      B             7.34
      C             7.28
      D             7.26
      E             4.217
      F             3.643
      G             3.253
      J             3.125
     
     J(E,G)=5.6HZ
     J(E,J)=7.6HZ
     J(G,J)=-14.0HZ
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3548.13   8.879     65
   2939.61   7.356     52
   2934.88   7.344     35
   2933.04   7.340    140
   2931.37   7.335    102
   2926.94   7.324     64
   2925.72   7.321    161
   2924.96   7.319    126
   2919.01   7.304     36
   2917.48   7.301     74
   2915.95   7.297     65
   2910.31   7.283     91
   2907.10   7.275     39
   2905.12   7.270    153
   2903.59   7.266    175
   2898.56   7.253     57
   2897.03   7.249    110
   2895.66   7.246     78
   1692.05   4.234     46
   1686.55   4.221     58
   1684.42   4.215     64
   1678.77   4.201     49
   1455.99   3.644   1000
   1311.49   3.282     32
   1306.00   3.268     33
   1297.61   3.247     53
   1292.11   3.234     49
   1258.39   3.149     53
   1250.61   3.130     53
   1244.35   3.114     35
   1236.72   3.095     33

in DMSO-d6