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Phenyl 4-(methylthio)benzoate

View entire compound with spectra: 2 MS (GC)

Phenyl 4-(methylthio)benzoate
SpectraBase Compound ID JjykEB9r99y
InChI InChI=1S/C14H12O2S/c1-17-13-9-7-11(8-10-13)14(15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey MTAVXTWNVKGDPI-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 Isk1Aw9VnYv
Name Phenyl 4-(methylthio)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.055800798 u
Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-17-13-9-7-11(8-10-13)14(15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey MTAVXTWNVKGDPI-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611819
Molecular Weight 244.308 g/mol
Quality 59
SMILES C1(=CC=CC=C1)OC(C1=CC=C(C=C1)SC)=O
SPLASH splash10-0udi-3900000000-86a34ef9d1f9f8495398
Source of Spectrum ACI-56-SM4-1k (DOI: 10.1002/anie.201611819)
Wiley ID 1895598