For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, 2-isopropoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-isopropoxyphenyl undecyl ester
SpectraBase Compound ID IpvbU9E2yJQ
InChI InChI=1S/C25H40O5/c1-6-7-8-9-10-11-12-13-16-19-28-23(26)25(4,5)24(27)30-22-18-15-14-17-21(22)29-20(2)3/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey MIUVIGLLPBIWQT-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 96ptaEzHjoh
Name Dimethylmalonic acid, 2-isopropoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-6-7-8-9-10-11-12-13-16-19-28-23(26)25(4,5)24(27)30-22-18-15-14-17-21(22)29-20(2)3/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKey MIUVIGLLPBIWQT-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCC)=O)OC(C)C