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5-Methyl-7-(2',6',6'-trimethyl-1'-cyclohexenyl)-4,6-heptadien-2-one
SpectraBase Compound ID 9Lhz3kYQjeB
InChI InChI=1S/C17H26O/c1-13(8-10-15(3)18)9-11-16-14(2)7-6-12-17(16,4)5/h8-9,11H,6-7,10,12H2,1-5H3/b11-9+,13-8+
InChIKey WGQNNTZSDHCCLD-RRURSIDFSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjK9R1df7Eh
Name 5-Methyl-7-(2',6',6'-trimethyl-1'-cyclohexenyl)-4,6-heptadien-2-one
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O
InChI InChI=1S/C17H26O/c1-13(8-10-15(3)18)9-11-16-14(2)7-6-12-17(16,4)5/h8-9,11H,6-7,10,12H2,1-5H3/b11-9+,13-8+
InChIKey WGQNNTZSDHCCLD-RRURSIDFSA-N
Molecular Weight 246.394 g/mol
SMILES C1(\C=C\C(=C\CC(=O)C)C)=C(CCCC1(C)C)C
SPLASH splash10-0006-9000000000-e9f332bbdaa341b86b4e
Source of Spectrum U1-2001-3906-6
Synonyms (4E,6E)-5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4,6-heptadien-2-one 5-Methyl-7-(2',6',6'-trimethyl-1'-cyclohexenyl)-4,7-heptadien-2-one
Wiley ID 815108