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

*Links on SpectraBase are not permalinks.
Adipic acid, isohexyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID EcglgpBtjwc
InChI InChI=1S/C18H23Cl3O4/c1-12(2)6-5-11-24-15(22)7-3-4-8-16(23)25-18-14(20)10-9-13(19)17(18)21/h9-10,12H,3-8,11H2,1-2H3
InChIKey FZRVKTBSBYZHSS-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 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 3losbiqso26
Name Adipic acid, isohexyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.066192317 u
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-12(2)6-5-11-24-15(22)7-3-4-8-16(23)25-18-14(20)10-9-13(19)17(18)21/h9-10,12H,3-8,11H2,1-2H3
InChIKey FZRVKTBSBYZHSS-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CCCC(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)C(OCCCC(C)C)=O