| SpectraBase Spectrum ID |
AkOoUqDy5FS |
| Name |
3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.021698488 u |
| Formula |
C14H6F5NO4 |
| InChI |
InChI=1S/C14H6F5NO4/c15-9-1-2-11(20(22)23)12(6-9)24-13(21)7-3-8(14(17,18)19)5-10(16)4-7/h1-6H |
| InChIKey |
RXXJQGVZSXNNJV-UHFFFAOYSA-N |
| Molecular Weight |
347.197 g/mol |
| SMILES |
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=C(C=CC(=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956349 |
