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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-chlorophenyl 3,5-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-chlorophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID GG3qjbABRy1
InChI InChI=1S/C22H17ClO4/c1-14-11-15(2)13-16(12-14)26-21(24)17-7-3-4-8-18(17)22(25)27-20-10-6-5-9-19(20)23/h3-13H,1-2H3
InChIKey PIWAKABIYLNSRG-UHFFFAOYSA-N
Mol Weight 380.83 g/mol
Molecular Formula C22H17ClO4
Exact Mass 380.081537 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 2SCVVWtFUfx
Name Phthalic acid, 2-chlorophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.081536723 u
Formula C22H17ClO4
InChI InChI=1S/C22H17ClO4/c1-14-11-15(2)13-16(12-14)26-21(24)17-7-3-4-8-18(17)22(25)27-20-10-6-5-9-19(20)23/h3-13H,1-2H3
InChIKey PIWAKABIYLNSRG-UHFFFAOYSA-N
Molecular Weight 380.827 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OC1=CC=CC=C1Cl)=O