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

*Links on SpectraBase are not permalinks.

Isophthalic acid, pentyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID KMYQveWA9hC
InChI InChI=1S/C19H17Cl3O4/c1-2-3-4-8-25-18(23)12-6-5-7-13(9-12)19(24)26-17-11-15(21)14(20)10-16(17)22/h5-7,9-11H,2-4,8H2,1H3
InChIKey RCFRUADBYPXYCR-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C19H17Cl3O4
Exact Mass 414.019242 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 H1Vjw3dvGY7
Name Isophthalic acid, pentyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.019242123 u
Formula C19H17Cl3O4
InChI InChI=1S/C19H17Cl3O4/c1-2-3-4-8-25-18(23)12-6-5-7-13(9-12)19(24)26-17-11-15(21)14(20)10-16(17)22/h5-7,9-11H,2-4,8H2,1H3
InChIKey RCFRUADBYPXYCR-UHFFFAOYSA-N
Molecular Weight 415.700 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCC)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O