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Diethyl 2-(3,5-dimethylbenzyl)malonate
SpectraBase Compound ID hodhADTHlG
InChI InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKey YQDNOUUVUBGJGX-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4QAwF0ariE
Name Diethyl 2-(3,5-dimethylbenzyl)malonate
Alternate Name(s) 2-[(3,5-dimethylphenyl)methyl]propanedioic acid diethyl ester Diethyl 2-[(3,5-dimethylphenyl)methyl]propanedioate
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKey YQDNOUUVUBGJGX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702226j
Molecular Weight 278.348 g/mol
SMILES c1(cc(CC(C(=O)OCC)C(=O)OCC)cc(c1)C)C
SPLASH splash10-001i-0590000000-651da725ff62b84c3682
Source of Spectrum A1-9-4659/SMS17-arb9
Wiley ID 1758780