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4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate
SpectraBase Compound ID LPee7zpTN6y
InChI InChI=1S/C15H20O3S/c1-11(16)18-10-13(17)14(15(2,3)4)19-12-8-6-5-7-9-12/h5-9,14H,10H2,1-4H3
InChIKey IOYPTRYQWAZAIY-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFDxCYha4oq
Name 4,4-Dimethyl-2-oxo-3-(phenylsulfanyl)pentyl acetate
CAS Registry Number 65302-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-11(16)18-10-13(17)14(15(2,3)4)19-12-8-6-5-7-9-12/h5-9,14H,10H2,1-4H3
InChIKey IOYPTRYQWAZAIY-UHFFFAOYSA-N
Molecular Weight 280.382 g/mol
SMILES CC(=O)OCC(C(C(C)(C)C)Sc1ccccc1)=O
SPLASH splash10-00mo-9400000000-7dbb130fb0bc45b4ceef
Source of Spectrum W5-1989-9483-1
Synonyms (4,4-dimethyl-2-oxidanylidene-3-phenylsulfanyl-pentyl) ethanoate 1-Phenylthio-1-tert-butyl-3-acetoxy-2-propanone Acetic acid [4,4-dimethyl-2-oxo-3-(phenylthio)pentyl] ester (4,4-dimethyl-2-oxo-3-phenylsulfanylpentyl) acetate (4,4-dimethyl-2-oxo-3-phenylsulfanyl-pentyl) acetate
Wiley ID 1283755