| SpectraBase Compound ID | 5DfiblZIfIv |
|---|---|
| InChI | InChI=1S/C9H4F5NO3S/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H |
| InChIKey | YEFMLZXGTGWMTO-UHFFFAOYSA-N |
| Mol Weight | 301.19 g/mol |
| Molecular Formula | C9H4F5NO3S |
| Exact Mass | 300.983205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ouhr5wA60u |
|---|---|
| Name | 4-Nitrothiophenol, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.983204979 u |
| Formula | C9H4F5NO3S |
| InChI | InChI=1S/C9H4F5NO3S/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H |
| InChIKey | YEFMLZXGTGWMTO-UHFFFAOYSA-N |
| Molecular Weight | 301.187 g/mol |
| SMILES | C1(SC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)N(=O)=O |