| SpectraBase Spectrum ID |
BQkyqEsqpem |
| Name |
2,4,5-Trichlorobenzenethiol, S-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.878016098 u |
| Formula |
C10H2Cl3F7OS |
| InChI |
InChI=1S/C10H2Cl3F7OS/c11-3-1-5(13)6(2-4(3)12)22-7(21)8(14,15)9(16,17)10(18,19)20/h1-2H |
| InChIKey |
NFCCFCLEMNYABL-UHFFFAOYSA-N |
| Molecular Weight |
409.533 g/mol |
| SMILES |
C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C(=C1)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944687 |
