| SpectraBase Compound ID | Lhuxz58N8Ui |
|---|---|
| InChI | InChI=1S/C19H21N3O2/c20-14-15-4-8-17(9-5-15)23-12-2-1-3-13-24-18-10-6-16(7-11-18)19(21)22/h4-11H,1-3,12-13H2,(H3,21,22) |
| InChIKey | QWFOMNHJKAXKEZ-UHFFFAOYSA-N |
| Mol Weight | 323.4 g/mol |
| Molecular Formula | C19H21N3O2 |
| Exact Mass | 323.163377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VhJXWgQIpA |
|---|---|
| Name | Pentamidine-artifact |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.163376926 u |
| Formula | C19H21N3O2 |
| InChI | InChI=1S/C19H21N3O2/c20-14-15-4-8-17(9-5-15)23-12-2-1-3-13-24-18-10-6-16(7-11-18)19(21)22/h4-11H,1-3,12-13H2,(H3,21,22) |
| InChIKey | QWFOMNHJKAXKEZ-UHFFFAOYSA-N |
| Molecular Weight | 323.396 g/mol |
| SMILES | NC(c1ccc(cc1)OCCCCCOc1ccc(cc1)C#N)=N |