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1H-Indole-3-propanoic acid, .beta.,1-dimethyl-, methyl ester, (.+-.)-
SpectraBase Compound ID FXozXiKTbwH
InChI InChI=1S/C14H17NO2/c1-10(8-14(16)17-3)12-9-15(2)13-7-5-4-6-11(12)13/h4-7,9-10H,8H2,1-3H3
InChIKey QIOUBQLAFUPETC-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AqadjzbhoW
Name 1H-Indole-3-propanoic acid, .beta.,1-dimethyl-, methyl ester, (.+-.)-
Alternate Name(s) Methyl ester of (+,-)-3-(3-(1-methylindolyl))butanoic acid Methyl 3-(1-methyl-1H-indol-3-yl)butanoate Methyl ester of (+,-) -2-methyl-3-(3-methlindolyl))propanoic acid 3-(1-Methyl-3-indolyl)butanoic acid methyl ester Methyl 3-(1-methylindol-3-yl)butanoate
CAS Registry Number 71711-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-10(8-14(16)17-3)12-9-15(2)13-7-5-4-6-11(12)13/h4-7,9-10H,8H2,1-3H3
InChIKey QIOUBQLAFUPETC-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES c1(c[n](C)c2c1cccc2)C(CC(=O)OC)C
SPLASH splash10-0006-0920000000-5b93fc7dab37a5d17e71
Source of Spectrum Y-16-671-0
Wiley ID 1232864