| SpectraBase Spectrum ID |
8GdpdwbloKu |
| Name |
4-Bromo-2-fluorobenzyl mercaptan, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.914867932 u |
| Formula |
C10H5BrF6OS |
| InChI |
InChI=1S/C10H5BrF6OS/c11-6-2-1-5(7(12)3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2 |
| InChIKey |
ILOCXWCZXKHLNQ-UHFFFAOYSA-N |
| Molecular Weight |
367.103 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)Br)CSC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824713 |
