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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexadecyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID 8yJRqfo7bgp
InChI InChI=1S/C31H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(32)31(7-2,8-3)30(33)36-28-25-26(4)22-23-27(28)34-5/h22-23,25H,6-21,24H2,1-5H3
InChIKey JTEGBSQRPZVGMF-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FL0g0q2HQl1
Name Diethylmalonic acid, hexadecyl 5-methyl-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.381474769 u
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(32)31(7-2,8-3)30(33)36-28-25-26(4)22-23-27(28)34-5/h22-23,25H,6-21,24H2,1-5H3
InChIKey JTEGBSQRPZVGMF-UHFFFAOYSA-N
Molecular Weight 504.752 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O