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THIOBENZOIC ACID, S-BENZYL ESTER
SpectraBase Compound ID AmJw7hwUEA6
InChI InChI=1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey IXTYVGVNWHFZBK-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 Lb1BDHypfZc
Name S-Benzyl benzothioate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12OS
InChI InChI=1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey IXTYVGVNWHFZBK-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 228.309 g/mol
SMILES c1(ccccc1)CSC(c1ccccc1)=O
SPLASH splash10-0a4i-4910000000-94b4df3b17b0985a41f4
Source of Spectrum JOC-86-8802-3x
Wiley ID 1867855