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Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]malonate
SpectraBase Compound ID 5UuvEgPcUB5
InChI InChI=1S/C21H22O5/c1-14-9-11-15(12-10-14)17(19(20(23)25-2)21(24)26-3)13-18(22)16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3
InChIKey IZJXRRYZNVNLHT-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRCwkjXrfla
Name Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]malonate
Alternate Name(s) 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]propanedioic acid dimethyl ester Dimethyl 2-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]propanedioate Dimethyl 2-[3-oxo-3-phenyl-1-(p-tolyl)propyl]propanedioate Dimethyl 2-[1-(4-methylphenyl)-3-oxidanylidene-3-phenyl-propyl]propanedioate
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Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-14-9-11-15(12-10-14)17(19(20(23)25-2)21(24)26-3)13-18(22)16-7-5-4-6-8-16/h4-12,17,19H,13H2,1-3H3
InChIKey IZJXRRYZNVNLHT-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES C(C(CC(=O)c1ccccc1)c1ccc(cc1)C)(C(=O)OC)C(=O)OC
SPLASH splash10-0adi-5940000000-db9aae6aa03c62f13dc1
Source of Spectrum F-56-9362-3
Wiley ID 859312