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1H-Indole-1-carboxylic acid, 3-cyanomethyl-, methyl ester
SpectraBase Compound ID 3gfKcCqGH4N
InChI InChI=1S/C12H10N2O2/c1-16-12(15)14-8-9(6-7-13)10-4-2-3-5-11(10)14/h2-5,8H,6H2,1H3
InChIKey TXQDKALLAHDYAF-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3heDPdroX6R
Name 1H-Indole-1-carboxylic acid, 3-cyanomethyl-, methyl ester
Alternate Name(s) 3-(cyanomethyl)-1-indolecarboxylic acid methyl ester 3-(cyanomethyl)indole-1-carboxylic acid methyl ester Methyl 3-(cyanomethyl)-1H-indole-1-carboxylate Methyl 3-(cyanomethyl)indole-1-carboxylate
CAS Registry Number 115610-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c1-16-12(15)14-8-9(6-7-13)10-4-2-3-5-11(10)14/h2-5,8H,6H2,1H3
InChIKey TXQDKALLAHDYAF-UHFFFAOYSA-N
Molecular Weight 214.224 g/mol
SMILES c12c(cccc2)[n](cc1CC#N)C(=O)OC
SPLASH splash10-0929-3930000000-b3b693d9d31982e48076
Wiley ID 1479231