| SpectraBase Spectrum ID |
HaYe7VO5CdB |
| Name |
4-Nitrothiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.983204979 u |
| Formula |
C9H4F5NO3S |
| InChI |
InChI=1S/C9H4F5NO3S/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H |
| InChIKey |
YEFMLZXGTGWMTO-UHFFFAOYSA-N |
| Molecular Weight |
301.187 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888233 |
