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6-[(E)-3-ketoprop-1-enyl]cyclohepta-1,3,5-triene-1-carbaldehyde
SpectraBase Compound ID 4ckBNgiQO4Y
InChI InChI=1S/C11H10O2/c12-7-3-6-10-4-1-2-5-11(8-10)9-13/h1-7,9H,8H2/b6-3+
InChIKey OGEFXGYYNVPOMG-ZZXKWVIFSA-N
Mol Weight 174.2 g/mol
Molecular Formula C11H10O2
Exact Mass 174.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjBe4dWw8pp
Name 6-[(E)-3-ketoprop-1-enyl]cyclohepta-1,3,5-triene-1-carbaldehyde
Alternate Name(s) 6-[(E)-3-oxidanylideneprop-1-enyl]cyclohepta-1,3,5-triene-1-carbaldehyde 6-[(E)-3-oxoprop-1-enyl]-1-cyclohepta-1,3,5-trienecarboxaldehyde 6-[(E)-3-oxoprop-1-enyl]cyclohepta-1,3,5-triene-1-carbaldehyde
CAS Registry Number 107182-12-7
Comments Less than 3 mono-isotopic peaks
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Formula C11H10O2
InChI InChI=1S/C11H10O2/c12-7-3-6-10-4-1-2-5-11(8-10)9-13/h1-7,9H,8H2/b6-3+
InChIKey OGEFXGYYNVPOMG-ZZXKWVIFSA-N
Molecular Weight 174.199 g/mol
SMILES C1(\C=C\C=O)=CC=CC=C(C1)C=O
SPLASH splash10-01b9-0900000000-cd1f9552368043fc1ef8
Source of Spectrum KC-1987-838-1
Wiley ID 1170852