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2-[(2-pyrrol-1-ylphenyl)thio]acetic acid ethyl ester
SpectraBase Compound ID 7WR4NvUixj2
InChI InChI=1S/C14H15NO2S/c1-2-17-14(16)11-18-13-8-4-3-7-12(13)15-9-5-6-10-15/h3-10H,2,11H2,1H3
InChIKey WNCHDVZMQGMEAZ-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C14H15NO2S
Exact Mass 261.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8uqr9lBIkv
Name 2-[(2-pyrrol-1-ylphenyl)thio]acetic acid ethyl ester
Alternate Name(s) 2-[[2-(1-pyrrolyl)phenyl]thio]acetic acid ethyl ester Ethyl 2-(2-pyrrol-1-ylphenyl)sulfanylacetate Ethyl 2-(2-pyrrol-1-ylphenyl)sulfanylethanoate
CAS Registry Number 80008-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2S
InChI InChI=1S/C14H15NO2S/c1-2-17-14(16)11-18-13-8-4-3-7-12(13)15-9-5-6-10-15/h3-10H,2,11H2,1H3
InChIKey WNCHDVZMQGMEAZ-UHFFFAOYSA-N
Molecular Weight 261.339 g/mol
SMILES c1(-[n]2cccc2)c(SCC(=O)OCC)cccc1
SPLASH splash10-00di-0910000000-23d37a03dc33c5f99039
Source of Spectrum Y-23-698-5
Wiley ID 1264690