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[1-Methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetic acid
SpectraBase Compound ID 18eXs1Q0yue
InChI InChI=1S/C17H15NO2S/c1-18-14-10-6-5-9-13(14)17(15(18)11-16(19)20)21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)
InChIKey BOALVBYVTVEEQS-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C17H15NO2S
Exact Mass 297.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jBYt0iQqdI
Name [1-Methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetic acid
CAS Registry Number 59212-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO2S
InChI InChI=1S/C17H15NO2S/c1-18-14-10-6-5-9-13(14)17(15(18)11-16(19)20)21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)
InChIKey BOALVBYVTVEEQS-UHFFFAOYSA-N
Molecular Weight 297.372 g/mol
SMILES OC(Cc1c(c2ccccc2[n]1C)Sc1ccccc1)=O
SPLASH splash10-0udj-0390000000-9ca81f9845da944c2c8d
Source of Spectrum AD-0-2532-0
Synonyms 2-(1-Methyl-3-phenylsulfanyl-indol-2-yl)acetic acid 2-(1-Methyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid 2-[1-methyl-3-(phenylthio)-2-indolyl]acetic acid 2-[1-methyl-3-(phenylthio)indol-2-yl]acetic acid Acetic acid, 2-(1-methyl-3-phenylthio-2-indolyl)-
Wiley ID 1432729