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4,4-Dimethyl-2-oxo-1-(phenylsulfanyl)pentyl acetate
SpectraBase Compound ID LwjyuP9o4KQ
InChI InChI=1S/C15H20O3S/c1-11(16)18-14(13(17)10-15(2,3)4)19-12-8-6-5-7-9-12/h5-9,14H,10H2,1-4H3
InChIKey VRLSTJBDJZWBRJ-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 5VzYyHWJ2OI
Name 4,4-Dimethyl-2-oxo-1-(phenylsulfanyl)pentyl acetate
CAS Registry Number 65303-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-11(16)18-14(13(17)10-15(2,3)4)19-12-8-6-5-7-9-12/h5-9,14H,10H2,1-4H3
InChIKey VRLSTJBDJZWBRJ-UHFFFAOYSA-N
Molecular Weight 280.382 g/mol
SMILES CC(=O)OC(C(CC(C)(C)C)=O)Sc1ccccc1
SPLASH splash10-0006-9000000000-3b12335db42c1c9399b9
Source of Spectrum W5-1989-9486-1
Synonyms (4,4-dimethyl-2-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate 1-Phenylthio-1-acetoxy-3-tert-butyl-propan-2-one Acetic acid [4,4-dimethyl-2-oxo-1-(phenylthio)pentyl] ester (4,4-dimethyl-2-oxo-1-phenylsulfanylpentyl) acetate (4,4-dimethyl-2-oxo-1-phenylsulfanyl-pentyl) acetate
Wiley ID 1283756