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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-chlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl pentadecyl ester
SpectraBase Compound ID 3BGc2foMvzd
InChI InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26(30)28(5-2,6-3)27(31)33-25-22-19-18-21-24(25)29/h18-19,21-22H,4-17,20,23H2,1-3H3
InChIKey QVPUJTFDXJBHCJ-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 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 CQsM58pF7BN
Name Diethylmalonic acid, 2-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26(30)28(5-2,6-3)27(31)33-25-22-19-18-21-24(25)29/h18-19,21-22H,4-17,20,23H2,1-3H3
InChIKey QVPUJTFDXJBHCJ-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC