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Benzenepropanal, .alpha.-(4-methylphenyl)-.beta.-oxo-
SpectraBase Compound ID Lqmv0dY6bD8
InChI InChI=1S/C16H14O2/c1-12-7-9-13(10-8-12)15(11-17)16(18)14-5-3-2-4-6-14/h2-11,15H,1H3
InChIKey IBHGBLIBLAOHAB-UHFFFAOYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1272LkoyImQ
Name Benzenepropanal, .alpha.-(4-methylphenyl)-.beta.-oxo-
Alternate Name(s) 2-(4-Methylphenyl)-3-oxo-3-phenyl-1-propanal 2-(4-Methylphenyl)-3-oxo-3-phenylpropanal
CAS Registry Number 93633-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-12-7-9-13(10-8-12)15(11-17)16(18)14-5-3-2-4-6-14/h2-11,15H,1H3
InChIKey IBHGBLIBLAOHAB-UHFFFAOYSA-N
Molecular Weight 238.286 g/mol
SMILES C(C(c1ccc(cc1)C)C=O)(=O)c1ccccc1
SPLASH splash10-0a6r-4920000000-eca103a926802dc184b3
Source of Spectrum O-19-483-3
Wiley ID 1241356