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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3-methoxybenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxybenzyl tridecyl ester
SpectraBase Compound ID BZxERlq66ja
InChI InChI=1S/C29H40O5/c1-3-4-5-6-7-8-9-10-11-12-15-21-33-28(30)26-19-13-14-20-27(26)29(31)34-23-24-17-16-18-25(22-24)32-2/h13-14,16-20,22H,3-12,15,21,23H2,1-2H3
InChIKey UPOFRWVKYSFPOF-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 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 20C92C62q2X
Name Phthalic acid, 3-methoxybenzyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.287574383 u
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-3-4-5-6-7-8-9-10-11-12-15-21-33-28(30)26-19-13-14-20-27(26)29(31)34-23-24-17-16-18-25(22-24)32-2/h13-14,16-20,22H,3-12,15,21,23H2,1-2H3
InChIKey UPOFRWVKYSFPOF-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCCCCC)=O