| SpectraBase Spectrum ID |
4PnXiTithNZ |
| Name |
2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.084713286 u |
| Formula |
C22H14F6O3 |
| InChI |
InChI=1S/C22H14F6O3/c23-21(24,25)15-6-11-19(22(26,27)28)18(12-15)20(29)31-17-9-7-16(8-10-17)30-13-14-4-2-1-3-5-14/h1-12H,13H2 |
| InChIKey |
MITDMBOEOCDKCI-UHFFFAOYSA-N |
| Molecular Weight |
440.341 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841425 |
