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

*Links on SpectraBase are not permalinks.

Terephthalic acid, dec-4-enyl undecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dec-4-enyl undecyl ester
SpectraBase Compound ID 8UFn69dfjI9
InChI InChI=1S/C29H46O4/c1-3-5-7-9-11-13-15-17-19-25-33-29(31)27-22-20-26(21-23-27)28(30)32-24-18-16-14-12-10-8-6-4-2/h12,14,20-23H,3-11,13,15-19,24-25H2,1-2H3/b14-12+
InChIKey SEPQWSMTHRRTGZ-WYMLVPIESA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 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 A2Fr0O0C0Xl
Name Terephthalic acid, dec-4-enyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.339609957 u
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-3-5-7-9-11-13-15-17-19-25-33-29(31)27-22-20-26(21-23-27)28(30)32-24-18-16-14-12-10-8-6-4-2/h12,14,20-23H,3-11,13,15-19,24-25H2,1-2H3/b14-12+
InChIKey SEPQWSMTHRRTGZ-WYMLVPIESA-N
Molecular Weight 458.683 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCCC\C=C\CCCCC)=O