![N-{2-oxo-1-[3-(Trifluoromethyl)benzyl]azepan-3-yl}pivalamide](/api/spectrum/I1XlTVYgO39/structure.png?h=300&w=458 "N-{2-oxo-1-[3-(Trifluoromethyl)benzyl]azepan-3-yl}pivalamide")
| SpectraBase Compound ID | 2Ewcd8nJaDy |
|---|---|
| InChI | InChI=1S/C19H25F3N2O2/c1-18(2,3)17(26)23-15-9-4-5-10-24(16(15)25)12-13-7-6-8-14(11-13)19(20,21)22/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,23,26) |
| InChIKey | PFTVYZLGAMGDDZ-UHFFFAOYSA-N |
| Mol Weight | 370.42 g/mol |
| Molecular Formula | C19H25F3N2O2 |
| Exact Mass | 370.186813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1XlTVYgO39 |
|---|---|
| Name | N-{2-oxo-1-[3-(Trifluoromethyl)benzyl]azepan-3-yl}pivalamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.186812540 u |
| Formula | C19H25F3N2O2 |
| InChI | InChI=1S/C19H25F3N2O2/c1-18(2,3)17(26)23-15-9-4-5-10-24(16(15)25)12-13-7-6-8-14(11-13)19(20,21)22/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,23,26) |
| InChIKey | PFTVYZLGAMGDDZ-UHFFFAOYSA-N |
| Molecular Weight | 370.416 g/mol |
| SMILES | C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)C(F)(F)F)=O |