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3-Pentanone, 1-[(methylsulfonyl)oxy]-5-(phenylthio)-
SpectraBase Compound ID CPyVyr46Juo
InChI InChI=1S/C12H16O4S2/c1-18(14,15)16-9-7-11(13)8-10-17-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey DILPQMVGYJJPBO-UHFFFAOYSA-N
Mol Weight 288.38 g/mol
Molecular Formula C12H16O4S2
Exact Mass 288.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qXjxd15yAk
Name 3-Pentanone, 1-[(methylsulfonyl)oxy]-5-(phenylthio)-
CAS Registry Number 101750-87-2
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4S2
InChI InChI=1S/C12H16O4S2/c1-18(14,15)16-9-7-11(13)8-10-17-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey DILPQMVGYJJPBO-UHFFFAOYSA-N
Molecular Weight 288.376 g/mol
SMILES C(OS(=O)(=O)C)CC(=O)CCSc1ccccc1
SPLASH splash10-0a4i-9010000000-056f6f32c488c392e760
Source of Spectrum F-41-4478-9
Synonyms 3-oxo-5-(phenylsulfanyl)pentyl methanesulfonate 3-oxo-5-phenylthio-amyl mesylate
Wiley ID 1291289