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2-Methyl-4-thiophen-3-ylbut-3-yne-1,2-diol
SpectraBase Compound ID 2n2SO13SCW3
InChI InChI=1S/C9H10O2S/c1-9(11,7-10)4-2-8-3-5-12-6-8/h3,5-6,10-11H,7H2,1H3
InChIKey VHVVQYMPUOWDNW-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60jEY4B7HHT
Name 2-Methyl-4-thiophen-3-ylbut-3-yne-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-9(11,7-10)4-2-8-3-5-12-6-8/h3,5-6,10-11H,7H2,1H3
InChIKey VHVVQYMPUOWDNW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 182.237 g/mol
SMILES OC(CO)(C#Cc1cscc1)C
SPLASH splash10-0udi-1900000000-855bf8bbe2585f43e660
Source of Spectrum J-77-8663-1q
Synonyms 2-Methyl-4-(thiophen-3-yl)but-3-yne-1,2-diol 2-Methyl-4-(3-thiophenyl)-3-butyne-1,2-diol 2-Methyl-4-thiophen-3-yl-but-3-yne-1,2-diol
Wiley ID 1747058