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1-(2,6,6-trimethyl-1-cyclohexenyl)-2-propen-1-one
SpectraBase Compound ID 8nBx8aoKl8l
InChI InChI=1S/C12H18O/c1-5-10(13)11-9(2)7-6-8-12(11,3)4/h5H,1,6-8H2,2-4H3
InChIKey CKBJUZMUYOKZMT-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91116XEN4CV
Name 1-(2,6,6,-trimethyl-1-cyclohexen-1-yl)-2-propen-1-one
Alternate Name(s) 1-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-5-10(13)11-9(2)7-6-8-12(11,3)4/h5H,1,6-8H2,2-4H3
InChIKey CKBJUZMUYOKZMT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.306
Molecular Weight 178.275 g/mol
SMILES C(C=C)(=O)C1=C(CCCC1(C)C)C
SPLASH splash10-03gj-5900000000-b1047feecc75bd4e39a0
Source of Spectrum RCM-15-854-Table2,Peak17
Wiley ID 1819677