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(2S,3R,4S)-2-Methyl-3-phenylsulfanyl-4-propyl-4-butanolide
SpectraBase Compound ID 8X6zbYqmkHO
InChI InChI=1S/C14H18O2S/c1-3-7-12-13(10(2)14(15)16-12)17-11-8-5-4-6-9-11/h4-6,8-10,12-13H,3,7H2,1-2H3/t10-,12+,13-/m1/s1
InChIKey MNROCZQQNBDKOH-KGYLQXTDSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAP28goVBgS
Name (2S,3R,4S)-2-Methyl-3-phenylsulfanyl-4-propyl-4-butanolide
Alternate Name(s) (3S,4R,5S)-3-methyl-4-(phenylsulfanyl)-5-propyldihydro-2(3H)-furanone (3S,4R,5S)-3-methyl-4-(phenylthio)-5-propyl-2-oxolanone (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyloxolan-2-one (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyl-tetrahydrofuran-2-one (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyl-oxolan-2-one
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Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-7-12-13(10(2)14(15)16-12)17-11-8-5-4-6-9-11/h4-6,8-10,12-13H,3,7H2,1-2H3/t10-,12+,13-/m1/s1
InChIKey MNROCZQQNBDKOH-KGYLQXTDSA-N
Molecular Weight 250.356 g/mol
SMILES C1([C@@]([C@@](Sc2ccccc2)([C@@](O1)(CCC)[H])[H])(C)[H])=O
SPLASH splash10-0udi-0930000000-9b689ae2de03d1245fb8
Source of Spectrum KC-0-1939-16
Wiley ID 786272