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4-(2',6',6'-Trimethyl-1'-cyclohexen-1'-yl)-2-heptanone

View entire compound with spectra: 1 MS (GC)

4-(2',6',6'-Trimethyl-1'-cyclohexen-1'-yl)-2-heptanone
SpectraBase Compound ID 7hjHorHxzkz
InChI InChI=1S/C16H28O/c1-6-8-14(11-13(3)17)15-12(2)9-7-10-16(15,4)5/h14H,6-11H2,1-5H3
InChIKey LPLNZYXRMABOPF-UHFFFAOYSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYfHGOO2WBH
Name 4-(2',6',6'-Trimethyl-1'-cyclohexen-1'-yl)-2-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-6-8-14(11-13(3)17)15-12(2)9-7-10-16(15,4)5/h14H,6-11H2,1-5H3
InChIKey LPLNZYXRMABOPF-UHFFFAOYSA-N
Molecular Weight 236.399 g/mol
SMILES C1(C(CC(=O)C)CCC)=C(CCCC1(C)C)C
SPLASH splash10-00tf-6950000000-49abebf36d6bcd4aeb51
Source of Spectrum F-51-751-18
Synonyms 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-heptanone 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-heptanone
Wiley ID 790564