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(2-Methylthiophenyl)butadiyne

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2-Methylthiophenyl)butadiyne
SpectraBase Compound ID 6MnTLcTxct
InChI InChI=1S/C11H8S/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,5-6,8-9H,2H3
InChIKey CRCZUBLWFYISFE-UHFFFAOYSA-N
Mol Weight 172.24 g/mol
Molecular Formula C11H8S
Exact Mass 172.034671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6DkpFwjOOk
Name (2-Methylthiophenyl)butadiyne
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8S
InChI InChI=1S/C11H8S/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,5-6,8-9H,2H3
InChIKey CRCZUBLWFYISFE-UHFFFAOYSA-N
Molecular Weight 172.245 g/mol
SMILES C#CC#Cc1c(cccc1)SC
SPLASH splash10-00di-1900000000-f42a73b265f738acb6f9
Source of Spectrum KC-0-2466-8
Synonyms 1-(1,3-butadiynyl)-2-(methylsulfanyl)benzene 2-(1,3-butadiynyl)phenyl methyl sulfide
Wiley ID 782049