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Diethylmalonic acid, 2-formylphenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-formylphenyl hexadecyl ester
SpectraBase Compound ID 3DSrZRXUP1W
InChI InChI=1S/C30H48O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-28(32)30(5-2,6-3)29(33)35-27-23-20-19-22-26(27)25-31/h19-20,22-23,25H,4-18,21,24H2,1-3H3
InChIKey WBPBOWQFKCMJAJ-UHFFFAOYSA-N
Mol Weight 488.7 g/mol
Molecular Formula C30H48O5
Exact Mass 488.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jsp2Twqs2K
Name Diethylmalonic acid, 2-formylphenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.350174641 u
Formula C30H48O5
InChI InChI=1S/C30H48O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-28(32)30(5-2,6-3)29(33)35-27-23-20-19-22-26(27)25-31/h19-20,22-23,25H,4-18,21,24H2,1-3H3
InChIKey WBPBOWQFKCMJAJ-UHFFFAOYSA-N
Molecular Weight 488.709 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC