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Diethylmalonic acid, 2-formylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-formylphenyl tridecyl ester
SpectraBase Compound ID DEqTsekZ6FQ
InChI InChI=1S/C27H42O5/c1-4-7-8-9-10-11-12-13-14-15-18-21-31-25(29)27(5-2,6-3)26(30)32-24-20-17-16-19-23(24)22-28/h16-17,19-20,22H,4-15,18,21H2,1-3H3
InChIKey KLDCVCVOBYGGPO-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVtPCWPqiKq
Name Diethylmalonic acid, 2-formylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-4-7-8-9-10-11-12-13-14-15-18-21-31-25(29)27(5-2,6-3)26(30)32-24-20-17-16-19-23(24)22-28/h16-17,19-20,22H,4-15,18,21H2,1-3H3
InChIKey KLDCVCVOBYGGPO-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC