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(5R,6R)-2,6-Dimethyl-5-(1-methylethenyl)-6-[(E)-4-methyl-5-oxo-3-hexenyl]-2-cyclohexen-1-one
SpectraBase Compound ID CTUUn2d9hFL
InChI InChI=1S/C18H26O2/c1-12(2)16-10-9-14(4)17(20)18(16,6)11-7-8-13(3)15(5)19/h8-9,16H,1,7,10-11H2,2-6H3/b13-8+/t16-,18-/m1/s1
InChIKey PMRMNTPFMIVWLF-GGWNBIEVSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISOjZ9NFPee
Name (5R,6R)-2,6-Dimethyl-5-(1-methylethenyl)-6-[(E)-4-methyl-5-oxo-3-hexenyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-12(2)16-10-9-14(4)17(20)18(16,6)11-7-8-13(3)15(5)19/h8-9,16H,1,7,10-11H2,2-6H3/b13-8+/t16-,18-/m1/s1
InChIKey PMRMNTPFMIVWLF-GGWNBIEVSA-N
Molecular Weight 274.404 g/mol
SMILES [C@]1(C(C(C)=CC[C@@]1(C(=C)C)[H])=O)(CC\C=C\(C(=O)C)C)C
SPLASH splash10-03di-0900000000-a6d7d95fd41ee25fd819
Source of Spectrum J-63-5105-11
Synonyms (5R,6R)-5-isopropenyl-2,6-dimethyl-6-[(3E)-4-methyl-5-oxo-3-hexenyl]-2-cyclohexen-1-one
Wiley ID 1278544