| SpectraBase Compound ID | 86cyQYg0lni |
|---|---|
| InChI | InChI=1S/C10H6BrF5OS/c11-7-3-1-2-6(4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2 |
| InChIKey | VRPBXTOXPWZITC-UHFFFAOYSA-N |
| Mol Weight | 349.11 g/mol |
| Molecular Formula | C10H6BrF5OS |
| Exact Mass | 347.92429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GRxNIO2ydfu |
|---|---|
| Name | 3-Bromobenzyl mercaptan, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.924289801 u |
| Formula | C10H6BrF5OS |
| InChI | InChI=1S/C10H6BrF5OS/c11-7-3-1-2-6(4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2 |
| InChIKey | VRPBXTOXPWZITC-UHFFFAOYSA-N |
| Molecular Weight | 349.113 g/mol |
| SMILES | C(SC(C(C(F)(F)F)(F)F)=O)C1=CC(=CC=C1)Br |