830-96-6

吲哚-3-丙酸(830-96-6)核磁圖(¹HNMR)

產(chǎn)品名稱:吲哚-3-丙酸

CAS:830-96-6

分子式:C11H11NO2

分子量: 189.21

InChI:InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

InChIKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C(CCC(O)=O)=C1

Mass

MS-NW-2598          
3-indolepropionic acid
C11H11NO2           (Mass of molecular ion:    189)

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

      18.0       2.7
      39.0       1.4
      51.0       1.6
      58.5       1.0
      63.0       1.7
      71.5       1.0
      77.0       5.1
      89.0       2.0
      90.0       1.2
     102.0       2.0
     103.0       4.6
     115.0       4.9
     116.0       1.5
     117.0       2.3
     128.0       1.5
     129.0       2.5
     130.0     100.0
     131.0      10.5
     142.0       2.7
     143.0       5.6
     144.0       4.4
     189.0      29.2
     190.0       3.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₁ N O₂	0.041 g : 0.5 ml DMSO-d₆
3-indolepropionic acid

    Assign.     Shift(ppm)

      A            12.1
      B            10.8
      C             7.524
      D             7.346
      E             7.120
      F             7.073
      G             6.984
      J             2.948
      K             2.605

     Hz     ppm     Int.

   4839.07  12.109     77
   4311.55  10.789    278
   3011.26   7.535    427
   3010.71   7.534    406
   3003.75   7.516    444
   3003.20   7.515    451
   2941.29   7.360    366
   2940.37   7.358    564
   2939.64   7.356    373
   2933.23   7.340    440
   2932.31   7.338    656
   2931.40   7.335    406
   2846.96   7.124    609
   2846.04   7.122    481
   2844.58   7.118    582
   2835.42   7.095    245
   2834.32   7.093    263
   2831.94   7.087     39
   2828.46   7.078    380
   2827.36   7.075    502
   2826.26   7.072    269
   2820.40   7.058    315
   2819.30   7.055    299
   2798.42   7.003    399
   2797.32   7.000    407
   2794.39   6.993     41
   2791.46   6.985    358
   2790.54   6.983    575
   2789.44   6.980    421
   2786.51   6.973     34
   2783.58   6.966    279
   2782.48   6.963    265
   1186.19   2.969    405
   1179.23   2.951    704
   1178.31   2.949    772
   1174.28   2.939     97
   1171.17   2.931    477
   1048.45   2.624    663
   1041.48   2.606    637
   1040.57   2.604   1000
   1033.24   2.586    526

KBr disc