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3-ETHENYL-4-ISOPROPYL-CYCLOHEXANONE
SpectraBase Compound ID 3fsuCKW4Jkh
InChI InChI=1S/C11H18O/c1-4-9-7-10(12)5-6-11(9)8(2)3/h4,8-9,11H,1,5-7H2,2-3H3/t9-,11+/m1/s1
InChIKey QXNSYXCBSUUXGY-KOLCDFICSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S06HsE9gsc
Name (3S,4S)-3-ethenyl-4-propan-2-yl-1-cyclohexanone
Alternate Name(s) (3S,4S)-3-ethenyl-4-propan-2-yl-cyclohexan-1-one (3S,4S)-4-isopropyl-3-vinyl-cyclohexanone
CAS Registry Number 129215-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-4-9-7-10(12)5-6-11(9)8(2)3/h4,8-9,11H,1,5-7H2,2-3H3/t9-,11+/m1/s1
InChIKey QXNSYXCBSUUXGY-KOLCDFICSA-N
Molecular Weight 166.264 g/mol
SMILES [C@]1([C@@](CCC(C1)=O)(C(C)C)[H])(C=C)[H]
SPLASH splash10-05nb-9300000000-a20b9fd1fced1924c2bb
Source of Spectrum H-73-656-8
Wiley ID 1163086