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2-Oxo-4-phenyl-1-(phenylthio)butyl acetate

View entire compound with spectra: 1 MS (GC)

2-Oxo-4-phenyl-1-(phenylthio)butyl acetate
SpectraBase Compound ID G9CLgaDfKTG
InChI InChI=1S/C18H18O3S/c1-14(19)21-18(22-16-10-6-3-7-11-16)17(20)13-12-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3
InChIKey CULHQEWNWKGPBP-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HraoINsmUIu
Name 2-Oxo-4-phenyl-1-(phenylthio)butyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-14(19)21-18(22-16-10-6-3-7-11-16)17(20)13-12-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3
InChIKey CULHQEWNWKGPBP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000376
Molecular Weight 314.399 g/mol
SMILES C(C)(=O)OC(C(CCc1ccccc1)=O)Sc1ccccc1
SPLASH splash10-053f-4900000000-f2c2676d9ae2fdaa4986
Source of Spectrum ASC-352-2955/SM2-1d
Wiley ID 1764072