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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2-(2-chlorophenyl)ethyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-chlorophenyl)ethyl 2-methylhex-3-yl ester
SpectraBase Compound ID LQ5L7NwhenL
InChI InChI=1S/C20H29ClO4/c1-4-8-18(15(2)3)25-20(23)12-7-11-19(22)24-14-13-16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKey FMAPUNSHCULSGS-UHFFFAOYSA-N
Mol Weight 368.9 g/mol
Molecular Formula C20H29ClO4
Exact Mass 368.175437 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 IcdrgzmWHgE
Name Glutaric acid, 2-(2-chlorophenyl)ethyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.175437110 u
Formula C20H29ClO4
InChI InChI=1S/C20H29ClO4/c1-4-8-18(15(2)3)25-20(23)12-7-11-19(22)24-14-13-16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKey FMAPUNSHCULSGS-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C(OCCC1=C(C=CC=C1)Cl)(=O)CCCC(OC(CCC)C(C)C)=O