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

*Links on SpectraBase are not permalinks.
2-Fluoro-3-trifluoromethylbenzoic acid, 5-tridecyl ester
SpectraBase Compound ID F5w3sL8PhXO
InChI InChI=1S/C21H30F4O2/c1-3-5-7-8-9-10-13-16(12-6-4-2)27-20(26)17-14-11-15-18(19(17)22)21(23,24)25/h11,14-16H,3-10,12-13H2,1-2H3
InChIKey OFJORVZDSRZDEJ-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C21H30F4O2
Exact Mass 390.218193 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 A89rdWRVexn
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 5-tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.218192856 u
Formula C21H30F4O2
InChI InChI=1S/C21H30F4O2/c1-3-5-7-8-9-10-13-16(12-6-4-2)27-20(26)17-14-11-15-18(19(17)22)21(23,24)25/h11,14-16H,3-10,12-13H2,1-2H3
InChIKey OFJORVZDSRZDEJ-UHFFFAOYSA-N
Molecular Weight 390.463 g/mol
SMILES C1(=C(C=CC=C1C(OC(CCCC)CCCCCCCC)=O)C(F)(F)F)F