| SpectraBase Compound ID | Gq9uUQUMtm7 |
|---|---|
| InChI | InChI=1S/C16H20F3NO2/c1-12-8-10-20(11-9-12)14(21)15(22-2,16(17,18)19)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/t15-/m1/s1 |
| InChIKey | QVCHQYIXJKSIQR-OAHLLOKOSA-N |
| Mol Weight | 315.34 g/mol |
| Molecular Formula | C16H20F3NO2 |
| Exact Mass | 315.144613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49pp3LMGuRx |
|---|---|
| Name | 4-Methylpiperidine-(R)-mtpa amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.144613375 u |
| Formula | C16H20F3NO2 |
| InChI | InChI=1S/C16H20F3NO2/c1-12-8-10-20(11-9-12)14(21)15(22-2,16(17,18)19)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/t15-/m1/s1 |
| InChIKey | QVCHQYIXJKSIQR-OAHLLOKOSA-N |
| Molecular Weight | 315.336 g/mol |
| SMILES | [C@@](C(N1CCC(CC1)C)=O)(C(F)(F)F)(C=1C=CC=CC1)OC |