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5-Phenyl-2,4-hexadienal
SpectraBase Compound ID GZ9VZD1WYom
InChI InChI=1S/C12H12O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-10H,1H3/b6-5+,11-7+
InChIKey PGCCYRKGHJACDN-LCAICKDSSA-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 B1jsyem1qg1
Name 5-Phenyl-2,4-hexadienal
Alternate Name(s) (2E,4E)-5-phenyl-2,4-hexadienal
CAS Registry Number 56836-34-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O
InChI InChI=1S/C12H12O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-10H,1H3/b6-5+,11-7+
InChIKey PGCCYRKGHJACDN-LCAICKDSSA-N
Molecular Weight 172.227 g/mol
SMILES C(\C=C\C=C\(c1ccccc1)C)=O
SPLASH splash10-0a4i-0900000000-acae434e444076eb6a9b
Source of Spectrum J-55-5321-34
Wiley ID 1169444