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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-isopropoxyphenyl pentyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropoxyphenyl pentyl ester
SpectraBase Compound ID 9MmNUkuwKoy
InChI InChI=1S/C21H32O5/c1-6-9-12-15-24-19(22)21(7-2,8-3)20(23)26-18-14-11-10-13-17(18)25-16(4)5/h10-11,13-14,16H,6-9,12,15H2,1-5H3
InChIKey IBRKJSDGTQWJAR-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 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 2KW5Md23e5q
Name Diethylmalonic acid, 2-isopropoxyphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-9-12-15-24-19(22)21(7-2,8-3)20(23)26-18-14-11-10-13-17(18)25-16(4)5/h10-11,13-14,16H,6-9,12,15H2,1-5H3
InChIKey IBRKJSDGTQWJAR-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC