![Cytisine, N-[6-aminohexyl]-](/api/spectrum/JIasZMqAz41/structure.png?h=300&w=458 "Cytisine, N-[6-aminohexyl]-")
| SpectraBase Compound ID | D9CJjN1duhO |
|---|---|
| InChI | InChI=1S/C17H27N3O/c18-8-3-1-2-4-9-19-11-14-10-15(13-19)16-6-5-7-17(21)20(16)12-14/h5-7,14-15H,1-4,8-13,18H2 |
| InChIKey | WAEXHMRHPHVPDC-UHFFFAOYSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C17H27N3O |
| Exact Mass | 289.215413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JIasZMqAz41 |
|---|---|
| Name | Cytisine, N-[6-aminohexyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.215412500 u |
| Formula | C17H27N3O |
| InChI | InChI=1S/C17H27N3O/c18-8-3-1-2-4-9-19-11-14-10-15(13-19)16-6-5-7-17(21)20(16)12-14/h5-7,14-15H,1-4,8-13,18H2 |
| InChIKey | WAEXHMRHPHVPDC-UHFFFAOYSA-N |
| SMILES | C1=2N(C(C=CC2)=O)CC2CN(CC1C2)CCCCCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831124 |