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Diethylmalonic acid, 4-acetylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-acetylphenyl dodecyl ester
SpectraBase Compound ID 70aGP7JntEE
InChI InChI=1S/C27H42O5/c1-5-8-9-10-11-12-13-14-15-16-21-31-25(29)27(6-2,7-3)26(30)32-24-19-17-23(18-20-24)22(4)28/h17-20H,5-16,21H2,1-4H3
InChIKey YYCLABQHGLIJLC-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaZbmYN7PBK
Name Diethylmalonic acid, 4-acetylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-5-8-9-10-11-12-13-14-15-16-21-31-25(29)27(6-2,7-3)26(30)32-24-19-17-23(18-20-24)22(4)28/h17-20H,5-16,21H2,1-4H3
InChIKey YYCLABQHGLIJLC-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC