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S-methyl [1,1'-biphenyl]-4-carbothioate
SpectraBase Compound ID KSfC1FuI7ah
InChI InChI=1S/C14H12OS/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey DIYYEWXEIJXDLT-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C14H12OS
Exact Mass 228.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUB1RGVAolJ
Name S-Methyl [1,1'-biphenyl]-4-carbothioate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12OS
InChI InChI=1S/C14H12OS/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey DIYYEWXEIJXDLT-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 228.309 g/mol
SMILES CSC(=O)c1ccc(cc1)-c1ccccc1
SPLASH splash10-001i-0900000000-1976a287052b24e7befb
Source of Spectrum JOC-86-8801-3q
Wiley ID 1867849