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3-[(1S,6R)-6-(4-methylphenyl)sulfanyl-1-bicyclo[4.1.0]heptanyl]propyl acetate
SpectraBase Compound ID JwkWuK4Izir
InChI InChI=1S/C19H26O2S/c1-15-6-8-17(9-7-15)22-19-12-4-3-10-18(19,14-19)11-5-13-21-16(2)20/h6-9H,3-5,10-14H2,1-2H3/t18-,19+/m0/s1
InChIKey GGHHPPPTUPVSTH-RBUKOAKNSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iuxUCjmq44
Name 3-[(1S,6R)-6-(4-methylphenyl)sulfanyl-1-bicyclo[4.1.0]heptanyl]propyl acetate
Alternate Name(s) 3-[(1S,6R)-6-(4-methylphenyl)sulfanyl-1-bicyclo[4.1.0]heptanyl]propyl ethanoate 3-[(1S,6R)-6-(p-tolylsulfanyl)norcaran-1-yl]propyl acetate Acetic acid 3-[(1S,6R)-6-(p-tolylthio)norcaran-1-yl]propyl ester Acetic acid 3-[(1S,6R)-6-[(4-methylphenyl)thio]-1-bicyclo[4.1.0]heptanyl]propyl ester
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Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-15-6-8-17(9-7-15)22-19-12-4-3-10-18(19,14-19)11-5-13-21-16(2)20/h6-9H,3-5,10-14H2,1-2H3/t18-,19+/m0/s1
InChIKey GGHHPPPTUPVSTH-RBUKOAKNSA-N
Molecular Weight 318.475 g/mol
SMILES [C@]12([C@](CCCOC(=O)C)(CCCC2)C1)Sc1ccc(cc1)C
SPLASH splash10-014i-0695000000-570c72fd4c05aae9c577
Source of Spectrum E1-43-1863-2
Wiley ID 1553202