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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 3,5-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-dichlorophenyl pentyl ester
SpectraBase Compound ID 9l54a378Fo0
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-8-24-18(22)13-6-5-7-14(9-13)19(23)25-17-11-15(20)10-16(21)12-17/h5-7,9-12H,2-4,8H2,1H3
InChIKey MIKBGKKSTZJFAQ-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 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 7burlUE0Ow4
Name Isophthalic acid, 3,5-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-8-24-18(22)13-6-5-7-14(9-13)19(23)25-17-11-15(20)10-16(21)12-17/h5-7,9-12H,2-4,8H2,1H3
InChIKey MIKBGKKSTZJFAQ-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCC)C(OC1=CC(=CC(=C1)Cl)Cl)=O