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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

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    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

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

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KBr disc

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nujol mull

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