| SpectraBase Compound ID | 2BKX5IQ5ydW |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-2-3-4-5-17-15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13+,14-,16- |
| InChIKey | PMKAXCAPXNECQQ-FXDBZKHDSA-N |
| Mol Weight | 249.4 g/mol |
| Molecular Formula | C16H27NO |
| Exact Mass | 249.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVlZ2gclfDv |
|---|---|
| Name | 1-Adamantanecarboxamide, N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.209264492 u |
| Formula | C16H27NO |
| InChI | InChI=1S/C16H27NO/c1-2-3-4-5-17-15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13+,14-,16- |
| InChIKey | PMKAXCAPXNECQQ-FXDBZKHDSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(=O)NCCCCC)C3)[H])[H])[H] |