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Diethylmalonic acid, decyl 5-methyl-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID 5nMxY7YA0jR
InChI InChI=1S/C25H40O5/c1-6-9-10-11-12-13-14-15-18-29-23(26)25(7-2,8-3)24(27)30-22-19-20(4)16-17-21(22)28-5/h16-17,19H,6-15,18H2,1-5H3
InChIKey ZWAZACZARXFRFG-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 HXxEchKOceV
Name Diethylmalonic acid, decyl 5-methyl-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-6-9-10-11-12-13-14-15-18-29-23(26)25(7-2,8-3)24(27)30-22-19-20(4)16-17-21(22)28-5/h16-17,19H,6-15,18H2,1-5H3
InChIKey ZWAZACZARXFRFG-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O