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Diethylmalonic acid, 2-isopropoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropoxyphenyl nonyl ester
SpectraBase Compound ID 2yZE5k2PYR
InChI InChI=1S/C25H40O5/c1-6-9-10-11-12-13-16-19-28-23(26)25(7-2,8-3)24(27)30-22-18-15-14-17-21(22)29-20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey WUYHFIUPRVFCIB-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rTBkW3tG6r
Name Diethylmalonic acid, 2-isopropoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-6-9-10-11-12-13-16-19-28-23(26)25(7-2,8-3)24(27)30-22-18-15-14-17-21(22)29-20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey WUYHFIUPRVFCIB-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC