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2-Cyclohexen-1-one, 6-(2-chloro-2-propenyl)-2,6-dimethyl-5-(1-methylethenyl)-, (5S-trans)-
SpectraBase Compound ID LRTDScekc0O
InChI InChI=1S/C14H19ClO/c1-9(2)12-7-6-10(3)13(16)14(12,5)8-11(4)15/h6,12H,1,4,7-8H2,2-3,5H3/t12-,14+/m0/s1
InChIKey ZBRZBNDRINEACQ-GXTWGEPZSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WWd5gIw1Kf
Name 2-Cyclohexen-1-one, 6-(2-chloro-2-propenyl)-2,6-dimethyl-5-(1-methylethenyl)-, (5S-trans)-
CAS Registry Number 126685-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c1-9(2)12-7-6-10(3)13(16)14(12,5)8-11(4)15/h6,12H,1,4,7-8H2,2-3,5H3/t12-,14+/m0/s1
InChIKey ZBRZBNDRINEACQ-GXTWGEPZSA-N
Molecular Weight 238.758 g/mol
SMILES [C@]1(C(C(C)=CC[C@]1(C(=C)C)[H])=O)(CC(=C)Cl)C
SPLASH splash10-0ue9-6970000000-9fc1e5c14264043a8804
Source of Spectrum F-45-5861-3
Synonyms (4S,5S)-4.alpha.-(2-chloro-2-propenyl)-2,4.beta.-dimethyl-5-propen-2-yl-cyclohexen-3-one (5S,6R)-6-(2-chloro-2-propenyl)-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-one (5S,6S)-6-(2-chloro allyl)-6-methyl carvone
Wiley ID 1240706