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

*Links on SpectraBase are not permalinks.

Terephthalic acid, 2-decyl tridecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, 2-decyl tridecyl ester
SpectraBase Compound ID KrSRn79iSSd
InChI InChI=1S/C31H52O4/c1-4-6-8-10-12-13-14-15-16-18-20-26-34-30(32)28-22-24-29(25-23-28)31(33)35-27(3)21-19-17-11-9-7-5-2/h22-25,27H,4-21,26H2,1-3H3
InChIKey QTHAZYUADFJTBC-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 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 BMy1ctcbhCO
Name Terephthalic acid, 2-decyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-4-6-8-10-12-13-14-15-16-18-20-26-34-30(32)28-22-24-29(25-23-28)31(33)35-27(3)21-19-17-11-9-7-5-2/h22-25,27H,4-21,26H2,1-3H3
InChIKey QTHAZYUADFJTBC-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O