| SpectraBase Spectrum ID |
Bq2JMrJIxmR |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.074148602 u |
| Formula |
C21H12F6O2 |
| InChI |
InChI=1S/C21H12F6O2/c22-20(23,24)14-10-11-17(21(25,26)27)16(12-14)19(28)29-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H |
| InChIKey |
YBFZELQXHGAHLK-UHFFFAOYSA-N |
| Molecular Weight |
410.315 g/mol |
| SMILES |
C1=CC=C(C=C1)C=1C(OC(C2=C(C(F)(F)F)C=CC(=C2)C(F)(F)F)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861992 |
