![(2S)-1,1,1-trifluoro-3-[(phenylmethyl)amino]-2-propanol](/api/spectrum/Bo4rSDB1zoM/structure.png?h=300&w=458 "(2S)-1,1,1-trifluoro-3-[(phenylmethyl)amino]-2-propanol")
| SpectraBase Compound ID | IohHaS8gsIU |
|---|---|
| InChI | InChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2/t9-/m0/s1 |
| InChIKey | NKTRJOFXPSASPC-VIFPVBQESA-N |
| Mol Weight | 219.21 g/mol |
| Molecular Formula | C10H12F3NO |
| Exact Mass | 219.087098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bo4rSDB1zoM |
|---|---|
| Name | (2S)-1,1,1-Trifluoro-3-[(phenylmethyl)amino]-2-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.087098498 u |
| Formula | C10H12F3NO |
| InChI | InChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2/t9-/m0/s1 |
| InChIKey | NKTRJOFXPSASPC-VIFPVBQESA-N |
| Molecular Weight | 219.207 g/mol |
| SMILES | C([C@@](O)(CNCC=1C=CC=CC1)[H])(F)(F)F |