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返回ChemicalBook首页>CAS数据库列表>29953-71-7更多图谱> (E)-3-吲哚丙烯酸(29953-71-7)核磁图(1HNMR)

29953-71-7

(E)-3-吲哚丙烯酸(29953-71-7)核磁图(1HNMR)

分子式:C11H9NO2

分子量: 187.19

InChI:InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

InChIKey: PLVPPLCLBIEYEA-AATRIKPKSA-N

Smiles:C(O)(=O)/C=C/C1C2=C(NC=1)C=CC=C2

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    Mass

    MS-NW-2597          
    trans-3-(3-indolyl)acrylic acid
    C11H9NO2            (Mass of molecular ion:    187)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.8
          27.0       1.0
          28.0       2.2
          38.0       1.6
          39.0       5.1
          44.0       7.6
          45.0       1.6
          50.0       2.6
          51.0       3.5
          52.0       1.4
          55.0       1.2
          57.5       2.5
          58.5       1.3
          61.0       1.3
          62.0       3.9
          63.0       8.5
          64.0       2.3
          64.5       1.2
          65.0       3.3
          65.5       1.5
          70.5       6.4
          71.0       2.6
          71.5       1.4
          74.0       2.2
          75.0       2.4
          76.0       1.3
          77.0       3.9
          79.5       1.4
          85.0       1.8
          86.0       2.1
          87.0       3.0
          88.0       4.4
          89.0       8.7
          90.0       3.5
          91.0       1.0
          93.5       1.7
         102.0       1.3
         103.0       2.5
         104.0       1.7
         113.0       5.7
         114.0      10.1
         115.0      46.0
         116.0       9.7
         117.0       6.0
         118.0       2.4
         128.0       1.0
         130.0      12.4
         131.0       2.6
         133.0       8.4
         140.0       7.3
         141.0      18.6
         142.0      18.0
         143.0      30.0
         144.0       6.3
         145.0       2.4
         146.0       2.9
         158.0       4.5
         159.0       2.8
         169.0       2.4
         170.0      42.3
         171.0       5.3
         186.0       3.4
         187.0     100.0
         188.0      12.5
         189.0       1.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C11 H9 N O2 0.040 g : 0.5 ml DMSO-d6
    trans-3-(3-indolyl)acrylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.9 B *1 11.77 C 7.940 D 7.878 E 7.874 F 7.498 G 7.23 J 7.19 K 6.368 J(E,K)=15.9HZ

         Hz     ppm     Int.
    

       4775.52  11.950     82
       4702.25  11.766    362
       3175.01   7.945    902
       3172.08   7.938    861
       3161.45   7.911     33
       3155.23   7.895    985
       3152.30   7.888    538
       3144.60   7.869    545
       3139.29   7.856   1000
       3000.82   7.509    520
       3000.08   7.507    567
       2993.67   7.491    454
       2992.76   7.489    653
       2899.16   7.255    230
       2898.06   7.252    262
       2892.02   7.237    526
       2890.92   7.234    510
       2884.32   7.218    472
       2882.86   7.214    444
       2880.66   7.208    467
       2879.38   7.205    485
       2872.78   7.189    506
       2871.87   7.186    520
       2865.82   7.171    242
       2864.54   7.168    213
       2552.79   6.388    878
       2536.86   6.348    834
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,100M,powder

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