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2,6-DIMETHYL-5-(1-METHYLETHENYL)-6-[(E)-4-METHYL-5-OXO-3-HEXENYL]-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID LU8h3uCcc6S
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-ATAJQDACSA-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 ArwnMhyGLgn
Name (5R,6R)-2,6-Dimethyl-5-(1-methylethenyl)-6-[(Z)-4-methyl-5-oxo-3-hexenyl]-2-cyclohexen-1-one
Alternate Name(s) (5R,6R)-5-isopropenyl-2,6-dimethyl-6-[(3Z)-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-ATAJQDACSA-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-0910000000-f5d247b407e23fbf4b02
Source of Spectrum J-63-5105-12
Wiley ID 1278543