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

*Links on SpectraBase are not permalinks.
2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester
SpectraBase Compound ID 1gUQpGmKM7
InChI InChI=1S/C16H12F4O2/c1-9-6-7-11(8-10(9)2)22-15(21)12-4-3-5-13(14(12)17)16(18,19)20/h3-8H,1-2H3
InChIKey UDKMZEIXSGNBAO-UHFFFAOYSA-N
Mol Weight 312.26 g/mol
Molecular Formula C16H12F4O2
Exact Mass 312.077342 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 IE92Xo2OlXX
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.077342276 u
Formula C16H12F4O2
InChI InChI=1S/C16H12F4O2/c1-9-6-7-11(8-10(9)2)22-15(21)12-4-3-5-13(14(12)17)16(18,19)20/h3-8H,1-2H3
InChIKey UDKMZEIXSGNBAO-UHFFFAOYSA-N
Molecular Weight 312.264 g/mol
SMILES C(C1=C(C(=CC=C1)C(F)(F)F)F)(OC1=CC=C(C)C(C)=C1)=O