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3-[(1S,6R)-6-((S)-p-Tolylsulfinyl)bicyclo[4.1.0]hept-1-yl]prop-1-ene
SpectraBase Compound ID KhYXgJPkmnW
InChI InChI=1S/C17H22OS/c1-3-10-16-11-4-5-12-17(16,13-16)19(18)15-8-6-14(2)7-9-15/h3,6-9H,1,4-5,10-13H2,2H3/t16-,17-,19?/m1/s1
InChIKey WAPGIMHDRMUPFP-QNZPCDNOSA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuDRc7DJPzJ
Name 3-[(1S,6R)-6-(p-Tolylsulfinyl)bicyclo[4.1.0]hept-1-yl]propene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-3-10-16-11-4-5-12-17(16,13-16)19(18)15-8-6-14(2)7-9-15/h3,6-9H,1,4-5,10-13H2,2H3/t16-,17-,19?/m1/s1
InChIKey WAPGIMHDRMUPFP-QNZPCDNOSA-N
Molecular Weight 274.422 g/mol
SMILES [C@]12([C@](CC=C)(CCCC2)C1)S(c1ccc(cc1)C)=O
SPLASH splash10-000i-0900000000-5e1e8aba0a537896b495
Source of Spectrum E1-43-575-13
Synonyms (1R,6S)-6-allylbicyclo[4.1.0]hept-1-yl 4-methylphenyl sulfoxide (1S,6R)-1-allyl-6-[(4-methylphenyl)sulfinyl]bicyclo[4.1.0]heptane (1S,6R)-6-(4-methylphenyl)sulfinyl-1-prop-2-enylbicyclo[4.1.0]heptane (1S,6R)-6-(4-methylphenyl)sulfinyl-1-prop-2-enyl-bicyclo[4.1.0]heptane
Wiley ID 1553017