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Phenyl S-(4-methylphenyl)-thiocarbonate

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

Phenyl S-(4-methylphenyl)-thiocarbonate
SpectraBase Compound ID LVnHaQ75VsU
InChI InChI=1S/C14H12O2S/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey PVKKSVOVYVIDCX-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JH1Wr8JXefL
Name Phenyl S-(4-methylphenyl)-thiocarbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.055800798 u
Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey PVKKSVOVYVIDCX-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES C(SC1=CC=C(C=C1)C)(OC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936237