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4-Penten-2-one, 4-(4-methyl-3-cyclohexen-1-yl)-, (R)-
SpectraBase Compound ID L2WVBlLcmsD
InChI InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,12H,2,5-8H2,1,3H3/t12-/m0/s1
InChIKey WDWNGXMJWRRJMK-LBPRGKRZSA-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 3ihBkyZN7Be
Name 4-Penten-2-one, 4-(4-methyl-3-cyclohexen-1-yl)-, (R)-
CAS Registry Number 112069-28-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,12H,2,5-8H2,1,3H3/t12-/m0/s1
InChIKey WDWNGXMJWRRJMK-LBPRGKRZSA-N
Molecular Weight 178.275 g/mol
SMILES C(CC(=O)C)([C@]1(CC=C(CC1)C)[H])=C
SPLASH splash10-0006-9000000000-69081eeb00106c90fec7
Source of Spectrum J-53-545-8
Synonyms 10-Acetylimonene 4-[(1R)-4-methyl-3-cyclohexen-1-yl]-4-penten-2-one
Wiley ID 1174719