| SpectraBase Compound ID | 36SxyPOOMvy |
|---|---|
| InChI | InChI=1S/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15-,16+,17-,18+ |
| InChIKey | FDTJNYSLUFATSC-DKYRHGDPSA-N |
| Mol Weight | 296.46 g/mol |
| Molecular Formula | C20H28N2 |
| Exact Mass | 296.225249 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7zMD4pukyIl |
|---|---|
| Name | 2-Adamantanone-azine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.225248910 u |
| Formula | C20H28N2 |
| InChI | InChI=1S/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15-,16+,17-,18+ |
| InChIKey | FDTJNYSLUFATSC-DKYRHGDPSA-N |
| SMILES | C1(=NN=C2[C@]3(C[C@]4(C[C@@]2(C[C@](C4)(C3)[H])[H])[H])[H])[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90918 |