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3-(4-Ketobutyl)benzaldehyde
SpectraBase Compound ID 7OrhieJXekT
InChI InChI=1S/C11H12O2/c12-7-2-1-4-10-5-3-6-11(8-10)9-13/h3,5-9H,1-2,4H2
InChIKey GDMFWRIPBITZGQ-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 5tWOhc4kWnP
Name 3-(4-Ketobutyl)benzaldehyde
Alternate Name(s) 3-(4-Oxidanylidenebutyl)benzaldehyde 3-(4-Oxobutyl)benzaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c12-7-2-1-4-10-5-3-6-11(8-10)9-13/h3,5-9H,1-2,4H2
InChIKey GDMFWRIPBITZGQ-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES C(=O)c1cc(CCCC=O)ccc1
SPLASH splash10-001i-0900000000-f329ada247ef68d6c6a9
Source of Spectrum SK-31-887-6
Wiley ID 881930