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2-Cyclohexen-1-one, 6-(2-chloro-2-propenyl)-2-methyl-5-(1-methylethenyl)-, (5R)-
SpectraBase Compound ID 5XVkrkco0Sf
InChI InChI=1S/C13H17ClO/c1-8(2)11-6-5-9(3)13(15)12(11)7-10(4)14/h5,11-12H,1,4,6-7H2,2-3H3/t11-,12?/m0/s1
InChIKey CRBKXUQBUCLNIT-PXYINDEMSA-N
Mol Weight 224.73 g/mol
Molecular Formula C13H17ClO
Exact Mass 224.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t7NruizBJP
Name 2-Cyclohexen-1-one, 6-(2-chloro-2-propenyl)-2-methyl-5-(1-methylethenyl)-, (5R)-
CAS Registry Number 126685-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO
InChI InChI=1S/C13H17ClO/c1-8(2)11-6-5-9(3)13(15)12(11)7-10(4)14/h5,11-12H,1,4,6-7H2,2-3H3/t11-,12?/m0/s1
InChIKey CRBKXUQBUCLNIT-PXYINDEMSA-N
Molecular Weight 224.731 g/mol
SMILES C1(C(C(C)=CC[C@]1(C(=C)C)[H])=O)CC(=C)Cl
SPLASH splash10-001c-4900000000-301f156b59c601be1973
Source of Spectrum F-45-5862-4
Synonyms (5R)-6-(2-chloro-2-propenyl)-5-isopropenyl-2-methyl-2-cyclohexen-1-one (5R,6S) and (5R,6R)-6-(2-chloro allyl)carvone
Wiley ID 1225182