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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-chloro-2-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl decyl ester
SpectraBase Compound ID 7ZbRRrKK6yg
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-23-16-15-20(26)18-19(23)2/h10-11,13-16,18H,3-9,12,17H2,1-2H3
InChIKey ADCWRWAQPGKPKP-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 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 BUdlB5uzA45
Name Phthalic acid, 4-chloro-2-methylphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-23-16-15-20(26)18-19(23)2/h10-11,13-16,18H,3-9,12,17H2,1-2H3
InChIKey ADCWRWAQPGKPKP-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCCCC)=O