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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 4-chloro-2-methylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methylphenyl pentadecyl ester
SpectraBase Compound ID 20Z2Glo9p1M
InChI InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-21-20-25(30)23-24(26)4/h20-21,23H,5-19,22H2,1-4H3
InChIKey VBZSSUONBMGFDR-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 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 8lEXZhAjp7H
Name Diethylmalonic acid, 4-chloro-2-methylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-21-20-25(30)23-24(26)4/h20-21,23H,5-19,22H2,1-4H3
InChIKey VBZSSUONBMGFDR-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC