| SpectraBase Compound ID | 9t3Eb0k13jO |
|---|---|
| InChI | InChI=1S/C15H21N3O/c1-18-13(2-3-16-18)15(19)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h2-3,9-12,14H,4-8H2,1H3,(H,17,19)/t9-,10+,11-,12+,14? |
| InChIKey | VMEHOYNDAQNPKW-QKYIQAADSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C15H21N3O |
| Exact Mass | 259.168462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hicouvIuNv |
|---|---|
| Name | N-(2-Adamantyl)-1-methyl-1H-pyrazole-5-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.168462307 u |
| Formula | C15H21N3O |
| InChI | InChI=1S/C15H21N3O/c1-18-13(2-3-16-18)15(19)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h2-3,9-12,14H,4-8H2,1H3,(H,17,19)/t9-,10+,11-,12+,14? |
| InChIKey | VMEHOYNDAQNPKW-QKYIQAADSA-N |
| Molecular Weight | 259.353 g/mol |
| SMILES | N(C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])C(C=1N(N=CC1)C)=O |