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3-but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one
SpectraBase Compound ID CFmY5yFkSjf
InChI InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3
InChIKey CZQIKCBGQZBANA-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NcIsfI1EfC
Name 2-Cyclohexen-1-one, 3-(3-butenyl)-2,4,4-trimethyl-
CAS Registry Number 67401-27-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3
InChIKey CZQIKCBGQZBANA-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)CCC=C
SPLASH splash10-000l-0900000000-802eea19468735f56199
Source of Spectrum F-56-3931-18
Synonyms 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one 3-but-3-enyl-2,4,4-trimethyl-1-cyclohex-2-enone 3-but-3-enyl-2,4,4-trimethyl-cyclohex-2-en-1-one 5,8-Megastigmadienone-4 3-but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one EINECS 266-685-5
Wiley ID 857120