3-(3-Indolyl)-2-oxopropanoic acid(392-12-1) IR2
Product Name3-(3-Indolyl)-2-oxopropanoic acid
CAS392-12-1
Molecular FormulaC11H9NO3
Molecular Weight203.19
InChIInChI=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
SmilesC12C=CC=CC=1NC=C2CC(=O)C(=O)O
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MassMS-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
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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
KBr disc
nujol mull
