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S-Methyl 3-ethynylbenzothioate
SpectraBase Compound ID JZbisGcyjkR
InChI InChI=1S/C10H8OS/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3
InChIKey DKQONZPFABJCNX-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C10H8OS
Exact Mass 176.029586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LVcHD0Vd3Z
Name S-Methyl 3-ethynylbenzothioate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8OS
InChI InChI=1S/C10H8OS/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3
InChIKey DKQONZPFABJCNX-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 176.233 g/mol
SMILES CSC(c1cc(ccc1)C#C)=O
SPLASH splash10-004i-2900000000-17d92ce13f1fd8e963fe
Source of Spectrum JOC-86-8802-3s
Wiley ID 1867851