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1-(4-Formyl-1,3-butadienyl)-1,3,5-cycloheptatriene

View entire compound with spectra: 1 MS (GC)

1-(4-Formyl-1,3-butadienyl)-1,3,5-cycloheptatriene
SpectraBase Compound ID E8yJizYsDih
InChI InChI=1S/C12H12O/c13-11-7-3-6-10-12-8-4-1-2-5-9-12/h1-8,10-11H,9H2/b7-3+,10-6+
InChIKey ANSIBZSSQBKAIY-ASVGJQBISA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pQyOImN3YD
Name 1-(4-Formyl-1,3-butadienyl)-1,3,5-Cycloheptatriene
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O
InChI InChI=1S/C12H12O/c13-11-7-3-6-10-12-8-4-1-2-5-9-12/h1-8,10-11H,9H2/b7-3+,10-6+
InChIKey ANSIBZSSQBKAIY-ASVGJQBISA-N
Molecular Weight 172.227 g/mol
SMILES C1(\C=C\C=C\C=O)=CC=CC=CC1
SPLASH splash10-004i-0900000000-fa7cfbdb1e72f0b7db79
Source of Spectrum AJ-66-279-6
Synonyms (2E,4E)-5-(1,3,5-cycloheptatrien-1-yl)-2,4-pentadienal
Wiley ID 771942