| SpectraBase Compound ID | 5gJJP2oHRjQ |
|---|---|
| InChI | InChI=1S/C10H6F5NO3S/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2 |
| InChIKey | LIRINQBNULJABQ-UHFFFAOYSA-N |
| Mol Weight | 315.21 g/mol |
| Molecular Formula | C10H6F5NO3S |
| Exact Mass | 314.998855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ak1jf9R9oZ |
|---|---|
| Name | (3-Nitrobenzyl)mercaptan, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.998855043 u |
| Formula | C10H6F5NO3S |
| InChI | InChI=1S/C10H6F5NO3S/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2 |
| InChIKey | LIRINQBNULJABQ-UHFFFAOYSA-N |
| Molecular Weight | 315.214 g/mol |
| SMILES | C(SC(C(C(F)(F)F)(F)F)=O)C1=CC(=CC=C1)N(=O)=O |