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3-Benzylthio-2-(3-hydroxy-3-methyl-1-butynyl)benzo[b]thiophene
SpectraBase Compound ID 2xfYX10Hcyw
InChI InChI=1S/C20H18OS2/c1-20(2,21)13-12-18-19(16-10-6-7-11-17(16)23-18)22-14-15-8-4-3-5-9-15/h3-11,21H,14H2,1-2H3
InChIKey JNAYTHKGYPZBKU-UHFFFAOYSA-N
Mol Weight 338.48 g/mol
Molecular Formula C20H18OS2
Exact Mass 338.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQwmIwSl5Kn
Name 3-Benzylthio-2-(3-hydroxy-3-methyl-1-butynyl)benzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18OS2
InChI InChI=1S/C20H18OS2/c1-20(2,21)13-12-18-19(16-10-6-7-11-17(16)23-18)22-14-15-8-4-3-5-9-15/h3-11,21H,14H2,1-2H3
InChIKey JNAYTHKGYPZBKU-UHFFFAOYSA-N
Molecular Weight 338.483 g/mol
SMILES OC(C#Cc1c(c2ccccc2s1)SCc1ccccc1)(C)C
SPLASH splash10-000l-3029000000-333817be99d95f55520f
Source of Spectrum F-53-7519-19
Synonyms 4-[3-(benzylsulfanyl)-1-benzothien-2-yl]-2-methyl-3-butyn-2-ol
Wiley ID 802401