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S-Phenethyl 4-methoxybenzothioate
SpectraBase Compound ID AC3A8lH7k5q
InChI InChI=1S/C16H16O2S/c1-18-15-9-7-14(8-10-15)16(17)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKey LPZCNXGAXLEKJX-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ7MZlqowOY
Name S-Phenethyl 4-methoxybenzothioate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-18-15-9-7-14(8-10-15)16(17)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKey LPZCNXGAXLEKJX-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 272.362 g/mol
SMILES c1(ccccc1)CCSC(c1ccc(cc1)OC)=O
SPLASH splash10-000i-1900000000-62e52b501b30bebed9d5
Source of Spectrum JOC-86-8802-3z
Wiley ID 1867857