![benzamide, 3-fluoro-N-[2,2,2-trifluoro-1-[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]-1-(trifluoromethyl)ethyl]-](/api/spectrum/9Za0vDmyBTc/structure.png?h=300&w=458 "benzamide, 3-fluoro-N-[2,2,2-trifluoro-1-[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]-1-(trifluoromethyl)ethyl]-")
| SpectraBase Compound ID | Kyg50NlzTuE |
|---|---|
| InChI | InChI=1S/C21H23F7N2O/c22-16-3-1-2-15(7-16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,29H,4-6,8-11H2,(H,30,31)/t12-,13+,14-,18- |
| InChIKey | NAPCYVWKKGXTRE-WXZYKRPKSA-N |
| Mol Weight | 452.42 g/mol |
| Molecular Formula | C21H23F7N2O |
| Exact Mass | 452.169861 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Za0vDmyBTc |
|---|---|
| Name | N-[1-[(Adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-3-fluoro-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.169860509 u |
| Formula | C21H23F7N2O |
| InChI | InChI=1S/C21H23F7N2O/c22-16-3-1-2-15(7-16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,29H,4-6,8-11H2,(H,30,31)/t12-,13+,14-,18- |
| InChIKey | NAPCYVWKKGXTRE-WXZYKRPKSA-N |
| Molecular Weight | 452.417 g/mol |
| SMILES | C(NC(C1=CC=CC(=C1)F)=O)(C(F)(F)F)(C(F)(F)F)NCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |