16851-56-2

吲哚啉-2-羧酸(16851-56-2)质谱(MS)

产品名称:吲哚啉-2-羧酸

CAS:16851-56-2

分子式:C9H9NO2

分子量: 163.17

InChI:InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)

InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N

Smiles:C12C=CC=CC=1NC(C(=O)O)C2

Mass

MS-NW-9465          
DL-2-indolinecarboxylic acid
C9H9NO2             (Mass of molecular ion:    163)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.4
      39.0       2.1
      44.0       1.5
      51.0       1.4
      58.5       4.6
      59.0       2.0
      62.0       1.1
      63.0       3.1
      64.0       1.2
      65.0       3.0
      89.0       7.2
      90.0       8.4
      91.0      19.4
      92.0       1.7
     115.0       1.4
     116.0       1.6
     117.0      19.7
     118.0     100.0
     119.0       9.3
     143.0       1.5
     163.0      28.7
     164.0       3.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₉ N O₂	0.052 g : 0.5 ml DMSO-d₆
DL-2-indolinecarboxylic acid

    Assign.     Shift(ppm)

      A             6.997
      B             6.921
      C             6.56
      D             6.55
      E             4.262
      F     *1      3.243
      G     *1      3.077

     Hz     ppm     Int.

   2800.62   7.008    457
   2800.25   7.007    469
   2799.52   7.005    408
   2793.47   6.990    494
   2792.92   6.989    499
   2792.37   6.988    444
   2774.79   6.944    253
   2774.24   6.942    235
   2773.51   6.940    253
   2766.91   6.924    521
   2766.18   6.922    504
   2759.59   6.906    323
   2759.04   6.904    292
   2758.30   6.902    306
   2625.69   6.570    814
   2623.86   6.566    632
   2622.76   6.563    350
   2617.82   6.551    781
   2616.53   6.548   1000
   2615.62   6.545    673
   2611.40   6.535     51
   2609.21   6.529    405
   2608.11   6.526    336
   1711.87   4.284    548
   1706.20   4.270    696
   1701.43   4.258    649
   1695.57   4.243    598
   1311.11   3.281    225
   1300.48   3.255    222
   1294.99   3.241    356
   1284.36   3.214    332
   1238.94   3.101    357
   1233.26   3.086    357
   1222.82   3.060    234
   1217.14   3.046    230

in DMSO-d6