| SpectraBase Spectrum ID |
DWYqa5pRXhB |
| Name |
2-Bromobenzyl mercaptan, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.927483475 u |
| Formula |
C9H6BrF3OS |
| InChI |
InChI=1S/C9H6BrF3OS/c10-7-4-2-1-3-6(7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey |
ZRIHIHLBANAQSP-UHFFFAOYSA-N |
| Molecular Weight |
299.105 g/mol |
| SMILES |
C(SC(C(F)(F)F)=O)C1=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818161 |
