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

*Links on SpectraBase are not permalinks.

Isophthalic acid, butyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, butyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID BgXnjFbQGi2
InChI InChI=1S/C18H15Cl3O4/c1-2-3-7-24-17(22)11-5-4-6-12(8-11)18(23)25-16-14(20)9-13(19)10-15(16)21/h4-6,8-10H,2-3,7H2,1H3
InChIKey MDZDVLFGORKZCL-UHFFFAOYSA-N
Mol Weight 401.67 g/mol
Molecular Formula C18H15Cl3O4
Exact Mass 400.003592 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 7JjhooT7paP
Name Isophthalic acid, butyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.003592059 u
Formula C18H15Cl3O4
InChI InChI=1S/C18H15Cl3O4/c1-2-3-7-24-17(22)11-5-4-6-12(8-11)18(23)25-16-14(20)9-13(19)10-15(16)21/h4-6,8-10H,2-3,7H2,1H3
InChIKey MDZDVLFGORKZCL-UHFFFAOYSA-N
Molecular Weight 401.673 g/mol
SMILES CCCCOC(=O)C=1C=C(C(OC2=C(C=C(Cl)C=C2Cl)Cl)=O)C=CC1