| SpectraBase Compound ID | Chi77MVKatK |
|---|---|
| InChI | InChI=1S/C18H16F3NO2/c1-13(16(23)15-10-6-3-7-11-15)22(17(24)18(19,20)21)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3 |
| InChIKey | QSMMTXSHEGGILI-UHFFFAOYSA-N |
| Mol Weight | 335.33 g/mol |
| Molecular Formula | C18H16F3NO2 |
| Exact Mass | 335.113313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTqWk944ysv |
|---|---|
| Name | 1-Phenyl-2-benzylaminopropane-1-one tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.113313246 u |
| Formula | C18H16F3NO2 |
| InChI | InChI=1S/C18H16F3NO2/c1-13(16(23)15-10-6-3-7-11-15)22(17(24)18(19,20)21)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3 |
| InChIKey | QSMMTXSHEGGILI-UHFFFAOYSA-N |
| Molecular Weight | 335.326 g/mol |
| SMILES | C(N(C(C(F)(F)F)=O)CC1=CC=CC=C1)(C(C=1C=CC=CC1)=O)C |