392-12-1

3-(3-吲哚基)-2-氧代丙酸(392-12-1)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):3-(3-吲哚基)-2-氧代丙酸

CAS:392-12-1

分子式:C11H9NO3

分子量: 203.19

InChI:InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)

InChIKey: RSTKLPZEZYGQPY-UHFFFAOYSA-N

Smiles:C12C=CC=CC=1NC=C2CC(=O)C(=O)O

Mass

MS-NW-7349          
3-indolepyruvic acid
C11H9NO3 H2O        (Mass of molecular ion:    203)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      28.0       1.0
      39.0       1.4
      44.0       1.8
      45.0       1.4
      50.0       2.5
      51.0       5.6
      52.0       2.3
      62.0       1.0
      63.0       2.4
      64.0       1.7
      64.5       2.4
      65.0       4.3
      74.0       2.2
      75.0       3.4
      76.0       3.5
      77.0      11.2
      78.0       2.2
      78.5       3.1
     101.0       3.1
     102.0       7.9
     103.0       9.0
     104.0       1.2
     128.0       6.0
     129.0      21.7
     130.0     100.0
     131.0      11.0
     156.0       1.6
     157.0      13.0
     158.0       2.2
     159.0       1.7
     203.0      29.2
     204.0       3.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₉ N O₃	0.031 g : 0.5 ml DMSO-d₆
3-indolepyruvic acid

    Assign.     Shift(ppm)

      A     *1     12.8
      B     *1     11.41
      C     *1      8.74
      D             7.899
      E             7.728
      F             7.426
      G             7.149
      J             7.084
      K             6.821

     Hz     ppm     Int.

   4559.93  11.410    242
   3494.27   8.744     38
   3158.16   7.903    500
   3155.78   7.897    518
   3092.58   7.739    325
   3084.71   7.719    350
   2972.24   7.438    392
   2971.51   7.436    277
   2965.28   7.420    319
   2964.37   7.418    470
   2963.45   7.416    311
   2865.82   7.171    165
   2864.54   7.168    175
   2858.68   7.153    309
   2857.76   7.151    352
   2850.80   7.134    262
   2849.52   7.131    241
   2838.53   7.103    283
   2837.43   7.100    285
   2834.68   7.093     30
   2834.32   7.093     30
   2831.39   7.085    255
   2830.47   7.083    388
   2829.56   7.081    326
   2823.51   7.065    191
   2822.41   7.063    174
   2726.25   6.822   1000

in DMSO-d6