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3-Methyl-1-phenyl-2-(thiophen-2'-ylmethyl)butane-1,2-diol
SpectraBase Compound ID 2m37qTu7vpx
InChI InChI=1S/C16H20O2S/c1-12(2)16(18,11-14-9-6-10-19-14)15(17)13-7-4-3-5-8-13/h3-10,12,15,17-18H,11H2,1-2H3
InChIKey KGHOTYVRDFIUHX-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kyADdylngO
Name 3-Methyl-1-phenyl-2-(thiophen-2'-ylmethyl)butane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-12(2)16(18,11-14-9-6-10-19-14)15(17)13-7-4-3-5-8-13/h3-10,12,15,17-18H,11H2,1-2H3
InChIKey KGHOTYVRDFIUHX-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES OC(C(Cc1sccc1)(C(C)C)O)c1ccccc1
SPLASH splash10-006w-9200000000-97e30724bb0291bb20be
Source of Spectrum U1-1998-2166-12
Synonyms 3-Methyl-1-phenyl-2-(2-thienylmethyl)-1,2-butanediol
Wiley ID 751880