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(1-Benzyl-1H-indol-3-ylsulfanyl)-acetic acid
SpectraBase Compound ID KaSOtPZTWII
InChI InChI=1S/C17H15NO2S/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9,11H,10,12H2,(H,19,20)
InChIKey AWNSSDYXGNZKMK-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 ABYq6GPjCpc
Name (1-Benzyl-1H-indol-3-ylsulfanyl)-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO2S
InChI InChI=1S/C17H15NO2S/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9,11H,10,12H2,(H,19,20)
InChIKey AWNSSDYXGNZKMK-UHFFFAOYSA-N
Molecular Weight 297.372 g/mol
SMILES OC(CSc1c[n](c2c1cccc2)Cc1ccccc1)=O
SPLASH splash10-0006-9130000000-a8943f65e455212c29f3
Synonyms 2-(1-benzylindol-3-yl)sulfanylacetic acid 2-[(1-benzylindol-3-yl)thio]acetic acid 2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoic acid 2-[[1-(phenylmethyl)-3-indolyl]thio]acetic acid
Wiley ID 1465208