832-97-3

DL-3-吲哚乳酸(832-97-3)Raman光谱

产品名称:DL-3-吲哚乳酸

CAS:832-97-3

分子式:C11H11NO3

分子量: 205.21

InChI:InChI=1S/C8H7N.C3H6O3/c1-2-4-8-7(3-1)5-6-9-8;1-2(4)3(5)6/h1-6,9H;2,4H,1H3,(H,5,6)

InChIKey: QSFNJFNTSKHBCR-UHFFFAOYSA-N

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

Mass

MS-NW-5259          
DL-3-indolelactic acid
C11H11NO3           (Mass of molecular ion:    205)

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

      18.0       1.0
      29.0       1.3
      50.0       1.0
      51.0       2.0
      63.0       1.2
      75.0       1.1
      76.0       1.2
      77.0       6.9
      89.0       1.2
     102.0       2.6
     103.0       6.0
     115.0       1.1
     117.0       2.2
     118.0       1.5
     128.0       1.6
     129.0       3.3
     130.0     100.0
     131.0      11.1
     132.0       1.3
     159.0       1.8
     160.0       1.0
     205.0      18.6
     206.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₁ N O₃	0.038 g : 0.5 ml DMSO-d₆
DL-3-indolelactic acid

    Assign.     Shift(ppm)

      A            12.5
      B            10.8
      C             7.543
      D             7.332
      E             7.148
      F             7.054
      G             6.971
      J             5.0
      K             4.231
      L     *1      3.097
      M     *1      2.955

     Hz     ppm     Int.

   4329.24  10.833     31
   4318.77  10.807    539
   4308.08  10.780     36
   3018.93   7.554    678
   3011.02   7.535    728
   2934.74   7.344    820
   2926.83   7.324    947
   2858.02   7.152   1000
   2855.89   7.146    945
   2827.90   7.076    355
   2826.83   7.074    359
   2824.26   7.067     59
   2820.84   7.059    610
   2819.78   7.056    728
   2812.72   7.038    476
   2811.66   7.036    429
   2793.49   6.990    542
   2792.64   6.988    525
   2785.59   6.971    810
   2784.73   6.968    583
   2781.74   6.961     57
   2778.75   6.953    369
   2777.68   6.951    338
   1697.51   4.248    463
   1692.59   4.236    582
   1690.24   4.230    621
   1685.33   4.218    491
   1248.98   3.126    299
   1244.28   3.114    303
   1240.01   3.103     35
   1234.45   3.089    475
   1229.54   3.077    461
   1190.65   2.980    476
   1187.01   2.971     72
   1183.38   2.962    478
   1179.54   2.952     64
   1176.33   2.944    314
   1172.91   2.935     52
   1172.48   2.934     50
   1168.85   2.925    302

DMSO-d6