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1H-Indole-2-carboxylic acid, 5-(acetylamino)-6-methyl-, methyl ester
SpectraBase Compound ID 1pHH200cwI3
InChI InChI=1S/C13H14N2O3/c1-7-4-11-9(5-10(7)14-8(2)16)6-12(15-11)13(17)18-3/h4-6,15H,1-3H3,(H,14,16)
InChIKey ZXNKNDRARQGBNN-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYezlg67NzD
Name 1H-Indole-2-carboxylic acid, 5-(acetylamino)-6-methyl-, methyl ester
Alternate Name(s) Methyl 5-(acetylamino)-6-methyl-1H-indole-2-carboxylate Methyl 5-acetamido-6-methylindole-2-carboxylate
CAS Registry Number 127506-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-7-4-11-9(5-10(7)14-8(2)16)6-12(15-11)13(17)18-3/h4-6,15H,1-3H3,(H,14,16)
InChIKey ZXNKNDRARQGBNN-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES [nH]1c2c(cc(c(c2)C)NC(=O)C)cc1C(=O)OC
SPLASH splash10-00dj-0970000000-8fd742acf1c28d43e513
Source of Spectrum KC-1989-2458-9
Wiley ID 1248830