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

*Links on SpectraBase are not permalinks.

Glutaric acid, 8-chlorooctyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 2-propylphenyl ester
SpectraBase Compound ID 94XjpdNQ9H6
InChI InChI=1S/C22H33ClO4/c1-2-12-19-13-7-8-14-20(19)27-22(25)16-11-15-21(24)26-18-10-6-4-3-5-9-17-23/h7-8,13-14H,2-6,9-12,15-18H2,1H3
InChIKey WDTWFEYDRLJVIT-UHFFFAOYSA-N
Mol Weight 397.0 g/mol
Molecular Formula C22H33ClO4
Exact Mass 396.206737 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 KXv6sDG41sh
Name Glutaric acid, 8-chlorooctyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-2-12-19-13-7-8-14-20(19)27-22(25)16-11-15-21(24)26-18-10-6-4-3-5-9-17-23/h7-8,13-14H,2-6,9-12,15-18H2,1H3
InChIKey WDTWFEYDRLJVIT-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC=1C(CCC)=CC=CC1)=O