| SpectraBase Compound ID | 8JkDp2sAwZN |
|---|---|
| InChI | InChI=1S/C10H5F6NO2S/c11-9(12,13)7(18)17-5-1-3-6(4-2-5)20-8(19)10(14,15)16/h1-4H,(H,17,18) |
| InChIKey | BASGPWUQNGYHHY-UHFFFAOYSA-N |
| Mol Weight | 317.21 g/mol |
| Molecular Formula | C10H5F6NO2S |
| Exact Mass | 316.994519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GypPNASQ56h |
|---|---|
| Name | 4-Aminothiophenol, N,S-bis(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.994518555 u |
| Formula | C10H5F6NO2S |
| InChI | InChI=1S/C10H5F6NO2S/c11-9(12,13)7(18)17-5-1-3-6(4-2-5)20-8(19)10(14,15)16/h1-4H,(H,17,18) |
| InChIKey | BASGPWUQNGYHHY-UHFFFAOYSA-N |
| Molecular Weight | 317.205 g/mol |
| SMILES | C1(=CC=C(C=C1)NC(C(F)(F)F)=O)SC(C(F)(F)F)=O |