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1-[(Phenylthio)carbonyl]-3-phenylpropyl acetate
SpectraBase Compound ID JFgt36hWiIC
InChI InChI=1S/C18H18O3S/c1-14(19)21-17(13-12-15-8-4-2-5-9-15)18(20)22-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey XKPPNBLLMAOVQA-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 L9lNamowB3T
Name 1-[(Phenylthio)carbonyl]-3-phenylpropyl acetate
Alternate Name(s) 1-Oxo-4-phenyl-1-(phenylthio)butan-2-yl acetate
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Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-14(19)21-17(13-12-15-8-4-2-5-9-15)18(20)22-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey XKPPNBLLMAOVQA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000376
Molecular Weight 314.399 g/mol
SMILES C(C)(=O)OC(CCc1ccccc1)C(=O)Sc1ccccc1
SPLASH splash10-014i-2920000000-c744bf1df58c13b0b7d0
Source of Spectrum ASC-352-2959-2d
Wiley ID 1764061