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3-[(E)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
SpectraBase Compound ID GssMfkrASWM
InChI InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5+
InChIKey CVDHBGKYPTUEAA-AATRIKPKSA-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 DgW6zGCWHo7
Name (E)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
CAS Registry Number 67401-26-7
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/h5-6H,7-9H2,1-4H3/b6-5+
InChIKey CVDHBGKYPTUEAA-AATRIKPKSA-N
Molecular Weight 192.302 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)C\C=C\C
SPLASH splash10-000l-0900000000-802eea19468735f56199
Source of Spectrum F-56-3932-7
Synonyms 3-[(E)-but-2-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone 3-[(E)-but-2-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one EINECS 266-683-4
Wiley ID 857119