| SpectraBase Compound ID | 1MZiWXrdNCP |
|---|---|
| InChI | InChI=1S/C20H23N3O2/c21-15-16-5-9-18(10-6-16)24-13-3-1-2-4-14-25-19-11-7-17(8-12-19)20(22)23/h5-12H,1-4,13-14H2,(H3,22,23) |
| InChIKey | CTEBITODSMVVRN-UHFFFAOYSA-N |
| Mol Weight | 337.42 g/mol |
| Molecular Formula | C20H23N3O2 |
| Exact Mass | 337.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BARC42uyycD |
|---|---|
| Name | Hexamidine-artifact 1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.179026991 u |
| Formula | C20H23N3O2 |
| InChI | InChI=1S/C20H23N3O2/c21-15-16-5-9-18(10-6-16)24-13-3-1-2-4-14-25-19-11-7-17(8-12-19)20(22)23/h5-12H,1-4,13-14H2,(H3,22,23) |
| InChIKey | CTEBITODSMVVRN-UHFFFAOYSA-N |
| SMILES | N=C(c1ccc(cc1)OCCCCCCOc1ccc(cc1)C#N)N |