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Diethylmalonic acid, nonyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, nonyl 3-phenoxybenzyl ester
SpectraBase Compound ID 25blopBdyan
InChI InChI=1S/C29H40O5/c1-4-7-8-9-10-11-15-21-32-27(30)29(5-2,6-3)28(31)33-23-24-17-16-20-26(22-24)34-25-18-13-12-14-19-25/h12-14,16-20,22H,4-11,15,21,23H2,1-3H3
InChIKey HJCGIGCOJMICQJ-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 925egQYBBoL
Name Diethylmalonic acid, nonyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.287574383 u
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-4-7-8-9-10-11-15-21-32-27(30)29(5-2,6-3)28(31)33-23-24-17-16-20-26(22-24)34-25-18-13-12-14-19-25/h12-14,16-20,22H,4-11,15,21,23H2,1-3H3
InChIKey HJCGIGCOJMICQJ-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OCC1=CC=CC(=C1)OC1=CC=CC=C1)=O)CC