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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2,4,6-trichlorophenyl 4-methylcyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl 4-methylcyclohexyl ester
SpectraBase Compound ID E1yowaL6H5n
InChI InChI=1S/C18H21Cl3O4/c1-11-5-7-13(8-6-11)24-16(22)3-2-4-17(23)25-18-14(20)9-12(19)10-15(18)21/h9-11,13H,2-8H2,1H3
InChIKey PFHALTISWGDPLN-UHFFFAOYSA-N
Mol Weight 407.72 g/mol
Molecular Formula C18H21Cl3O4
Exact Mass 406.050542 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 33zPRk1Oywd
Name Glutaric acid, 2,4,6-trichlorophenyl 4-methylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.050542252 u
Formula C18H21Cl3O4
InChI InChI=1S/C18H21Cl3O4/c1-11-5-7-13(8-6-11)24-16(22)3-2-4-17(23)25-18-14(20)9-12(19)10-15(18)21/h9-11,13H,2-8H2,1H3
InChIKey PFHALTISWGDPLN-UHFFFAOYSA-N
Molecular Weight 407.721 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC1CCC(CC1)C)=O