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Diethylmalonic acid, 3-methylbenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-methylbenzyl tridecyl ester
SpectraBase Compound ID 9AJOVDGfcKc
InChI InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-16-17-21-31-26(29)28(6-2,7-3)27(30)32-23-25-20-18-19-24(4)22-25/h18-20,22H,5-17,21,23H2,1-4H3
InChIKey YFMJLRXKUJAOLV-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7uO8XZuPIu
Name Diethylmalonic acid, 3-methylbenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-16-17-21-31-26(29)28(6-2,7-3)27(30)32-23-25-20-18-19-24(4)22-25/h18-20,22H,5-17,21,23H2,1-4H3
InChIKey YFMJLRXKUJAOLV-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC