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

*Links on SpectraBase are not permalinks.

Terephthalic acid, dodec-2-enyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodec-2-enyl heptyl ester
SpectraBase Compound ID 5nyIaQ6GWw8
InChI InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-8-6-4-2/h15,17-21H,3-14,16,22-23H2,1-2H3/b17-15+
InChIKey VAXFBHMLDMPZTE-BMRADRMJSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 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 KEUfJgfnyR4
Name Terephthalic acid, dodec-2-enyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-8-6-4-2/h15,17-21H,3-14,16,22-23H2,1-2H3/b17-15+
InChIKey VAXFBHMLDMPZTE-BMRADRMJSA-N
Molecular Weight 430.629 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(OC\C=C\CCCCCCCCC)=O