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2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetic acid
SpectraBase Compound ID 77nQ4RrGJhC
InChI InChI=1S/C11H11N3O2S/c1-14-7-12-13-11(14)17-9(10(15)16)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,15,16)
InChIKey LMYXGRLHGLZUOR-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3TC3ER34ES
Name 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetic acid
CAS Registry Number 71370-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-14-7-12-13-11(14)17-9(10(15)16)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,15,16)
InChIKey LMYXGRLHGLZUOR-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES OC(C(Sc1[n](cnn1)C)c1ccccc1)=O
SPLASH splash10-00di-0950000000-6a66f587dbc2fcf94387
Source of Spectrum J-44-3808-0
Synonyms 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoic acid 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid [(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl](phenyl)acetic acid 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid
Wiley ID 1251977