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S-Phenyl 4-methoxybenzenecarbothioate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

S-Phenyl 4-methoxybenzenecarbothioate
SpectraBase Compound ID 6zn3B2zvfer
InChI InChI=1S/C14H12O2S/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey HLPIUBYKAZDTHR-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DvO3rhQpxv
Name S-Phenyl 4-methoxybenzenecarbothioate
Alternate Name(s) 4-Methoxybenzenecarbothioic acid S-phenyl ester 4-Methoxythiobenzoic acid S-phenyl ester Thiobenzoic acid, 4-methoxy-, S-phenyl ester
CAS Registry Number 21122-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey HLPIUBYKAZDTHR-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES C(Sc1ccccc1)(c1ccc(cc1)OC)=O
SPLASH splash10-000i-6900000000-4da0d9bc8d92b0cbd47f
Source of Spectrum AD-0-2532-0
Wiley ID 1431476