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Diethylmalonic acid, 2-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylphenyl undecyl ester
SpectraBase Compound ID 5HYw3boD3eX
InChI InChI=1S/C25H40O4/c1-5-8-9-10-11-12-13-14-17-20-28-23(26)25(6-2,7-3)24(27)29-22-19-16-15-18-21(22)4/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey YLQWKKGIXTYXQA-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JJWUKf5BtB
Name Diethylmalonic acid, 2-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-8-9-10-11-12-13-14-17-20-28-23(26)25(6-2,7-3)24(27)29-22-19-16-15-18-21(22)4/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey YLQWKKGIXTYXQA-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C)=O)CC)C