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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl pentadecyl ester
SpectraBase Compound ID eOnEsN9mnJ
InChI InChI=1S/C30H50O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(31)30(7-2,8-3)29(32)35-27-24-25(4)21-22-26(27)33-5/h21-22,24H,6-20,23H2,1-5H3
InChIKey RGERIHHFVVIWNV-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUbEs56fkFV
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.365824705 u
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(31)30(7-2,8-3)29(32)35-27-24-25(4)21-22-26(27)33-5/h21-22,24H,6-20,23H2,1-5H3
InChIKey RGERIHHFVVIWNV-UHFFFAOYSA-N
Molecular Weight 490.725 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O