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3-(3'-Oxobutyl)benzaldehyde
SpectraBase Compound ID 5IfBzJOsIfG
InChI InChI=1S/C11H12O2/c1-9(13)11-6-2-4-10(8-11)5-3-7-12/h2,4,6-8H,3,5H2,1H3
InChIKey QMCJHJPWZUOUEK-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuJyTBKkuKZ
Name 3-(3'-Oxobutyl)benzaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-9(13)11-6-2-4-10(8-11)5-3-7-12/h2,4,6-8H,3,5H2,1H3
InChIKey QMCJHJPWZUOUEK-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES c1(C(=O)C)cc(CCC=O)ccc1
SPLASH splash10-003r-0900000000-ed66df6846b85a6c2443
Source of Spectrum SK-31-887-6
Synonyms 3-(3-Acetylphenyl)propanal 3-(3-Acetylphenyl)propionaldehyde 3-(3-Acetyl-phenyl)-propionaldehyde 3-(3-Ketobutyl)benzaldehyde 3-(3-Oxidanylidenebutyl)benzaldehyde 3-(3-Oxobutyl)benzaldehyde 3-(3-Ethanoylphenyl)propanal
Wiley ID 881931