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(4S,5S)-4.alpha.-[3-chloro-2-propenyl)-2,4.beta.-dimethyl-5-propen-2-ylcyclohexen-3-one
SpectraBase Compound ID KlBCyk68Xt9
InChI InChI=1S/C14H19ClO/c1-10(2)12-7-6-11(3)13(16)14(12,4)8-5-9-15/h5-6,9,12H,1,7-8H2,2-4H3/b9-5+/t12-,14-/m1/s1
InChIKey LNJFBSHFVYYAAB-DHTPOUDLSA-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 K6YdizAbNjo
Name (4S,5S)-4.alpha.-[3-chloro-2-propenyl)-2,4.beta.-dimethyl-5-propen-2-ylcyclohexen-3-one
Alternate Name(s) (5R,6R)-6-[(2E)-3-chloro-2-propenyl]-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-one (5S,6S)-6-(3-chloro allyl)-6-methyl carvone
CAS Registry Number 126685-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c1-10(2)12-7-6-11(3)13(16)14(12,4)8-5-9-15/h5-6,9,12H,1,7-8H2,2-4H3/b9-5+/t12-,14-/m1/s1
InChIKey LNJFBSHFVYYAAB-DHTPOUDLSA-N
Molecular Weight 238.758 g/mol
SMILES [C@]1(C(C(C)=CC[C@@]1(C(=C)C)[H])=O)(C\C=C\Cl)C
SPLASH splash10-0fl9-6790000000-cfa599ded329187072d2
Source of Spectrum F-45-5861-3
Wiley ID 1240707