| SpectraBase Spectrum ID |
AcFLxfvWHKu |
| Name |
4-Amino-2-fluorothiophenol, N,S-bis(pentafluoropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.978709338 u |
| Formula |
C12H4F11NO2S |
| InChI |
InChI=1S/C12H4F11NO2S/c13-5-3-4(24-7(25)9(14,15)11(18,19)20)1-2-6(5)27-8(26)10(16,17)12(21,22)23/h1-3H,(H,24,25) |
| InChIKey |
MJIPSJQWPUJKON-UHFFFAOYSA-N |
| Molecular Weight |
435.211 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)NC(C(C(F)(F)F)(F)F)=O)SC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858357 |
