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3-Cyclohexen-1-one, 4-(1,3-dimethyl-2-butenyl)-, (.+-.)-
SpectraBase Compound ID LMChdSVc5To
InChI InChI=1S/C12H18O/c1-9(2)8-10(3)11-4-6-12(13)7-5-11/h4,8,10H,5-7H2,1-3H3
InChIKey JWCDVMYNAVRAIT-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 5l6AGFqTQQJ
Name 3-Cyclohexen-1-one, 4-(1,3-dimethyl-2-butenyl)-, (.+-.)-
Alternate Name(s) 4-(1,3-Dimethyl-2-butenyl)-3-cyclohexen-1-one
CAS Registry Number 129194-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9(2)8-10(3)11-4-6-12(13)7-5-11/h4,8,10H,5-7H2,1-3H3
InChIKey JWCDVMYNAVRAIT-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C1(=CCC(CC1)=O)C(C=C(C)C)C
SPLASH splash10-0006-9500000000-1ff3f0baccbece8e616e
Source of Spectrum C-112-7301-1
Wiley ID 1174758