DL-INDOLE-3-LACTIC ACID(832-97-3) IR1
Product NameDL-INDOLE-3-LACTIC ACID
CAS832-97-3
Molecular FormulaC11H11NO3
Molecular Weight205.21
InChIInChI=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
SmilesN1C2=C(C=CC=C2)C=C1.CC(C(O)=O)O
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MassMS-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 
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
KBr disc
nujol mull
