| SpectraBase Spectrum ID |
JgzjSDpDZ54 |
| Name |
4-Chloro-3-trifluoromethyl-benzenethiol, S-heptafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.943345220 u |
| Formula |
C11H3ClF10OS |
| InChI |
InChI=1S/C11H3ClF10OS/c12-6-2-1-4(3-5(6)9(15,16)17)24-7(23)8(13,14)10(18,19)11(20,21)22/h1-3H |
| InChIKey |
FOLQWXSXMOGYLW-UHFFFAOYSA-N |
| Molecular Weight |
408.641 g/mol |
| SMILES |
C(F)(F)(F)C1=C(Cl)C=CC(=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951933 |
