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

*Links on SpectraBase are not permalinks.
2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl dodecyl ester
SpectraBase Compound ID 1e9yBvCHH1y
InChI InChI=1S/C27H34F3NO4/c1-2-3-4-5-6-7-8-9-10-11-19-34-25(32)23-13-12-14-24(31-23)26(33)35-20-21-15-17-22(18-16-21)27(28,29)30/h12-18H,2-11,19-20H2,1H3
InChIKey NVLJIMGKPIEOLI-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C27H34F3NO4
Exact Mass 493.243993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J6zXUZC3UjM
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34F3NO4
InChI InChI=1S/C27H34F3NO4/c1-2-3-4-5-6-7-8-9-10-11-19-34-25(32)23-13-12-14-24(31-23)26(33)35-20-21-15-17-22(18-16-21)27(28,29)30/h12-18H,2-11,19-20H2,1H3
InChIKey NVLJIMGKPIEOLI-UHFFFAOYSA-N
Molecular Weight 493.567 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCCCCCC
SPLASH splash10-0a4i-5932000000-1dfe47e1d8cca157fa2a
Source of Spectrum TIPS-2023-975-0
Wiley ID 1885681