| SpectraBase Spectrum ID |
6Qy9SypjC1d |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.027926683 u |
| Formula |
C15H7F6NO4 |
| InChI |
InChI=1S/C15H7F6NO4/c16-14(17,18)8-1-6-12(15(19,20)21)11(7-8)13(23)26-10-4-2-9(3-5-10)22(24)25/h1-7H |
| InChIKey |
HQUDURDOGOMJHN-UHFFFAOYSA-N |
| Molecular Weight |
379.214 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904117 |
