| SpectraBase Spectrum ID |
4RzNqHqxHtt |
| Name |
2-Chloro-6-methylthiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.974804501 u |
| Formula |
C10H6ClF5OS |
| InChI |
InChI=1S/C10H6ClF5OS/c1-5-3-2-4-6(11)7(5)18-8(17)9(12,13)10(14,15)16/h2-4H,1H3 |
| InChIKey |
VHGHLKREWMNORZ-UHFFFAOYSA-N |
| Molecular Weight |
304.662 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90848 |
