| SpectraBase Spectrum ID |
6q7BQGnYKv0 |
| Name |
Heptafluorobutyric acid, 3-fluoro-6-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.993432881 u |
| Formula |
C10H3F8NO4 |
| InChI |
InChI=1S/C10H3F8NO4/c11-4-1-2-5(19(21)22)6(3-4)23-7(20)8(12,13)9(14,15)10(16,17)18/h1-3H |
| InChIKey |
JWGCMOKFXPJUSJ-UHFFFAOYSA-N |
| Molecular Weight |
353.124 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(F)C=C1OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948792 |
