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Diethylmalonic acid, decyl 2-formylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-formylphenyl ester
SpectraBase Compound ID FCvHKAZ2YCw
InChI InChI=1S/C24H36O5/c1-4-7-8-9-10-11-12-15-18-28-22(26)24(5-2,6-3)23(27)29-21-17-14-13-16-20(21)19-25/h13-14,16-17,19H,4-12,15,18H2,1-3H3
InChIKey DVNLBEYAODALJC-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6bzrvj2LYy
Name Diethylmalonic acid, decyl 2-formylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-4-7-8-9-10-11-12-15-18-28-22(26)24(5-2,6-3)23(27)29-21-17-14-13-16-20(21)19-25/h13-14,16-17,19H,4-12,15,18H2,1-3H3
InChIKey DVNLBEYAODALJC-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC