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3-Methyl-3-(4-methylphenyl)-4-oxopentanal

View entire compound with spectra: 1 MS (GC)

3-Methyl-3-(4-methylphenyl)-4-oxopentanal
SpectraBase Compound ID 1DwOmf85lcS
InChI InChI=1S/C13H16O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,9H,8H2,1-3H3
InChIKey KBXNGAURAKQTDX-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMLqovmTnFq
Name 3-Methyl-3-(4-methylphenyl)-4-oxopentanal
Alternate Name(s) 3-Methyl-3-(4-methylphenyl)-4-oxidanylidene-pentanal 3-Methyl-4-oxo-3-(p-tolyl)pentanal 4-keto-3-methyl-3-(p-tolyl)valeraldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,9H,8H2,1-3H3
InChIKey KBXNGAURAKQTDX-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C(CC(C(C)=O)(c1ccc(cc1)C)C)=O
SPLASH splash10-001l-1900000000-81944fa8f3ddf36b832c
Source of Spectrum F-54-8136-8
Wiley ID 807826