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4-Isopropenyl-4-methyl-2-(phenylthio)-.gamma.-butyrolactone
SpectraBase Compound ID KyHKoKG9H6g
InChI InChI=1S/C14H16O2S/c1-10(2)14(3)9-12(13(15)16-14)17-11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey SDLIEULTKYYZBY-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vdJIXSka1G
Name 4-Isopropenyl-4-methyl-2-(phenylthio)-.gamma.-butyrolactone
Alternate Name(s) 5-methyl-3-(phenylsulfanyl)-5-(prop-1-en-2-yl)oxolan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-10(2)14(3)9-12(13(15)16-14)17-11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey SDLIEULTKYYZBY-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES C1(OC(=O)C(C1)Sc1ccccc1)(C(=C)C)C
SPLASH splash10-0002-9080000000-ca4c53043f694cd15076
Source of Spectrum KC-0-840-10
Wiley ID 787784