| SpectraBase Compound ID | 9y9MHewF8f9 |
|---|---|
| InChI | InChI=1S/C15H11F6NS/c16-14(17,18)13(10-4-2-1-3-5-10)22-11-6-8-12(9-7-11)23-15(19,20)21/h1-9,13,22H |
| InChIKey | IQNWDALQHSYQES-UHFFFAOYSA-N |
| Mol Weight | 351.31 g/mol |
| Molecular Formula | C15H11F6NS |
| Exact Mass | 351.05164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItDrknAC5DK |
|---|---|
| Name | N-(2,2,2-Trifluoro-1-phenylethyl)-4-(trifluoromethylthio)-aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.051639510 u |
| Formula | C15H11F6NS |
| InChI | InChI=1S/C15H11F6NS/c16-14(17,18)13(10-4-2-1-3-5-10)22-11-6-8-12(9-7-11)23-15(19,20)21/h1-9,13,22H |
| InChIKey | IQNWDALQHSYQES-UHFFFAOYSA-N |
| Molecular Weight | 351.310 g/mol |
| SMILES | C(C(NC1=CC=C(SC(F)(F)F)C=C1)C=1C=CC=CC1)(F)(F)F |