| SpectraBase Spectrum ID |
L4mdNLPbUTc |
| Name |
2,4,5-Trichlorobenzenethiol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.881209772 u |
| Formula |
C9H2Cl3F5OS |
| InChI |
InChI=1S/C9H2Cl3F5OS/c10-3-1-5(12)6(2-4(3)11)19-7(18)8(13,14)9(15,16)17/h1-2H |
| InChIKey |
PMJNFEYIOGQUBT-UHFFFAOYSA-N |
| Molecular Weight |
359.525 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=C(C(=C1)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888492 |
