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3-(Phenylthio)propanethioic acid S-phenyl ester
SpectraBase Compound ID 5clPaeKa26V
InChI InChI=1S/C15H14OS2/c16-15(18-14-9-5-2-6-10-14)11-12-17-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey LVHKEWCDKLXDHC-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C15H14OS2
Exact Mass 274.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DBFk91NeJN
Name 3-(Phenylthio)propanethioic acid S-phenyl ester
Alternate Name(s) S-phenyl 3-phenylsulfanylpropanethioate Thiophenol, S-[3-phenylthiopropionyl]-
CAS Registry Number 87797-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14OS2
InChI InChI=1S/C15H14OS2/c16-15(18-14-9-5-2-6-10-14)11-12-17-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey LVHKEWCDKLXDHC-UHFFFAOYSA-N
Molecular Weight 274.396 g/mol
SMILES C(Sc1ccccc1)(CCSc1ccccc1)=O
SPLASH splash10-00xr-0900000000-148f44bba28139807cd9
Source of Spectrum J-59-3149-0
Wiley ID 1278008