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2,2-Dimethyl-3-[(3E)-3-methyl-5-(phenylsulfanyl)-3-pentenyl]oxirane
SpectraBase Compound ID J0Kfr43jqxJ
InChI InChI=1S/C16H22OS/c1-13(9-10-15-16(2,3)17-15)11-12-18-14-7-5-4-6-8-14/h4-8,11,15H,9-10,12H2,1-3H3/b13-11+
InChIKey FPZNQXDILQMSIU-ACCUITESSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VygUVyGofG
Name 2,2-Dimethyl-3-[(3E)-3-methyl-5-(phenylsulfanyl)-3-pentenyl]oxirane
Comments Note: The molecular formula of the structure shown is C16H22OS - which differs from the formula reported for the mass spectrum (C16H21DOS)
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Formula C16H21DOS
InChI InChI=1S/C16H22OS/c1-13(9-10-15-16(2,3)17-15)11-12-18-14-7-5-4-6-8-14/h4-8,11,15H,9-10,12H2,1-3H3/b13-11+
InChIKey FPZNQXDILQMSIU-ACCUITESSA-N
Molecular Weight 262.411 g/mol
SMILES C1(CC\C(C)=C\CSc2ccccc2)C(O1)(C)C
SPLASH splash10-000x-9200000000-c656b4cea24b7acfec30
Synonyms 2,2-Dimethyl-3-[(E)-3-methyl-5-(phenylthio)pent-3-enyl]oxirane 2,2-Dimethyl-3-[(E)-3-methyl-5-phenylsulfanyl-pent-3-enyl]oxirane
Wiley ID 1480498