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Diethylmalonic acid, 2-formylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-formylphenyl pentadecyl ester
SpectraBase Compound ID J1rSlkVKJTn
InChI InChI=1S/C29H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-33-27(31)29(5-2,6-3)28(32)34-26-22-19-18-21-25(26)24-30/h18-19,21-22,24H,4-17,20,23H2,1-3H3
InChIKey VBMYQRNKYXQACO-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H46O5
Exact Mass 474.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9T7LQLBTDaO
Name Diethylmalonic acid, 2-formylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.334524576 u
Formula C29H46O5
InChI InChI=1S/C29H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-33-27(31)29(5-2,6-3)28(32)34-26-22-19-18-21-25(26)24-30/h18-19,21-22,24H,4-17,20,23H2,1-3H3
InChIKey VBMYQRNKYXQACO-UHFFFAOYSA-N
Molecular Weight 474.682 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC