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3-(2-Aminoethyl)-5,7-dimethyl-1H-indole-2-carboxylic acid
SpectraBase Compound ID AadHPj1USQQ
InChI InChI=1S/C13H16N2O2/c1-7-5-8(2)11-10(6-7)9(3-4-14)12(15-11)13(16)17/h5-6,15H,3-4,14H2,1-2H3,(H,16,17)
InChIKey JJPBBLYMQPFDKW-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEU5mz3DbE5
Name 3-(2-Aminoethyl)-5,7-dimethyl-1H-indole-2-carboxylic acid
Alternate Name(s) 3-(2-ammonioethyl)-5,7-dimethyl-1H-indole-2-carboxylate 3-(2-azaniumylethyl)-5,7-dimethyl-1H-indole-2-carboxylate 3-(2-azanylethyl)-5,7-dimethyl-1H-indole-2-carboxylic acid Indole-2-carboxylic acid, 3-(2-aminoethyl)-5,7-dimethyl-
CAS Registry Number 2245-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-7-5-8(2)11-10(6-7)9(3-4-14)12(15-11)13(16)17/h5-6,15H,3-4,14H2,1-2H3,(H,16,17)
InChIKey JJPBBLYMQPFDKW-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES [nH]1c2c(c(c1C(O)=O)CCN)cc(cc2C)C
SPLASH splash10-0ka9-1930000000-358202e72527652fac35
Source of Spectrum AD-0-2532-0
Wiley ID 1431267