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Diethylmalonic acid, 1-naphthyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-naphthyl undecyl ester
SpectraBase Compound ID H6SsPqTL0ta
InChI InChI=1S/C28H40O4/c1-4-7-8-9-10-11-12-13-16-22-31-26(29)28(5-2,6-3)27(30)32-25-21-17-19-23-18-14-15-20-24(23)25/h14-15,17-21H,4-13,16,22H2,1-3H3
InChIKey AONXADHJLHVCBZ-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzedTHqc5lC
Name Diethylmalonic acid, 1-naphthyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-4-7-8-9-10-11-12-13-16-22-31-26(29)28(5-2,6-3)27(30)32-25-21-17-19-23-18-14-15-20-24(23)25/h14-15,17-21H,4-13,16,22H2,1-3H3
InChIKey AONXADHJLHVCBZ-UHFFFAOYSA-N
Molecular Weight 440.624 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC