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3-(.alpha.-Cyclohexylphenylmethyl)-3-(methylsulfanyl)tetrahydrofuran-2-one isomer
SpectraBase Compound ID IDjY0YeHZCl
InChI InChI=1S/C18H24O2S/c1-21-18(12-13-20-17(18)19)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-13H2,1H3
InChIKey PEUAQBXPJWUSJP-UHFFFAOYSA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJbtJ92GPzv
Name 3-(.alpha.-Cyclohexylphenylmethyl)-3-(methylsulfanyl)tetrahydrofuran-2-one isomer
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Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-21-18(12-13-20-17(18)19)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-13H2,1H3
InChIKey PEUAQBXPJWUSJP-UHFFFAOYSA-N
Molecular Weight 304.448 g/mol
SMILES C1(C(OCC1)=O)(C(c1ccccc1)C1CCCCC1)SC
SPLASH splash10-001i-3900000000-0514772e0028d79e739f
Source of Spectrum KC-0-1841-9
Synonyms 3-[cyclohexyl(phenyl)methyl]-3-(methylsulfanyl)dihydro-2(3H)-furanone
Wiley ID 781539