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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl tetradecyl ester
SpectraBase Compound ID 9UNU2QKrZx8
InChI InChI=1S/C29H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-33-28(31)25-17-14-15-18-26(25)29(32)34-27-20-19-24(30)22-23(27)2/h14-15,17-20,22H,3-13,16,21H2,1-2H3
InChIKey JXIUUQBIIMUKJG-UHFFFAOYSA-N
Mol Weight 487.1 g/mol
Molecular Formula C29H39ClO4
Exact Mass 486.253687 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 8dVZ8aw6bnA
Name Phthalic acid, 4-chloro-2-methylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.253687432 u
Formula C29H39ClO4
InChI InChI=1S/C29H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-33-28(31)25-17-14-15-18-26(25)29(32)34-27-20-19-24(30)22-23(27)2/h14-15,17-20,22H,3-13,16,21H2,1-2H3
InChIKey JXIUUQBIIMUKJG-UHFFFAOYSA-N
Molecular Weight 487.080 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCCCCCCCC)=O