| SpectraBase Compound ID | JtOLJ2t8oaJ |
|---|---|
| InChI | InChI=1S/C26H27N3O/c30-25(28-26-13-17-9-18(14-26)11-19(10-17)15-26)29-27-16-24-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)24/h1-8,12,16-19H,9-11,13-15H2,(H2,28,29,30)/b27-16+/t17-,18+,19-,26- |
| InChIKey | XJGJISBJNATLDH-IUUOVELQSA-N |
| Mol Weight | 397.52 g/mol |
| Molecular Formula | C26H27N3O |
| Exact Mass | 397.215413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DJWBc9pPSi |
|---|---|
| Name | 9-Anthracenecarbaldehyde N-(1-adamantyl)semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.215412500 u |
| Formula | C26H27N3O |
| InChI | InChI=1S/C26H27N3O/c30-25(28-26-13-17-9-18(14-26)11-19(10-17)15-26)29-27-16-24-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)24/h1-8,12,16-19H,9-11,13-15H2,(H2,28,29,30)/b27-16+/t17-,18+,19-,26- |
| InChIKey | XJGJISBJNATLDH-IUUOVELQSA-N |
| Molecular Weight | 397.522 g/mol |
| SMILES | N(C(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)\N=C\C1=C2C(C=CC=C2)=CC2=C1C=CC=C2 |