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4,4-dimethyl-3-hexa-1,5-dienone
SpectraBase Compound ID 8VL1GdLcr09
InChI InChI=1S/C8H12O/c1-5-7(9)8(3,4)6-2/h5-6H,1-2H2,3-4H3
InChIKey JFPXUANVFISIBZ-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNwy72WNHAS
Name 4,4-dimethyl-3-hexa-1,5-dienone
CAS Registry Number 33698-65-6
Comments Less than 3 mono-isotopic peaks
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Formula C8H12O
InChI InChI=1S/C8H12O/c1-5-7(9)8(3,4)6-2/h5-6H,1-2H2,3-4H3
InChIKey JFPXUANVFISIBZ-UHFFFAOYSA-N
Molecular Weight 124.183 g/mol
SMILES C(C(C=C)=O)(C=C)(C)C
SPLASH splash10-001i-9200000000-763c8f7b35e443b8a472
Source of Spectrum C-113-5823-4
Synonyms 4,4-dimethylhexa-1,5-dien-3-one
Wiley ID 1129069