| SpectraBase Compound ID | Hh7Tg3i1AbA |
|---|---|
| InChI | InChI=1S/C19H16N4O2/c24-19(25)17(9-12-10-20-11-21-12)23-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-8,10-11,17H,9H2,(H,20,21)(H,22,23)(H,24,25) |
| InChIKey | WEKACGMBIJABEO-UHFFFAOYSA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C19H16N4O2 |
| Exact Mass | 332.127326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AD3edI6lfsI |
|---|---|
| Name | 2-(Acridin-9-ylamino)-3-(3H-imidazol-4-yl)-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.127325769 u |
| Formula | C19H16N4O2 |
| InChI | InChI=1S/C19H16N4O2/c24-19(25)17(9-12-10-20-11-21-12)23-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-8,10-11,17H,9H2,(H,20,21)(H,22,23)(H,24,25) |
| InChIKey | WEKACGMBIJABEO-UHFFFAOYSA-N |
| Molecular Weight | 332.363 g/mol |
| SMILES | C1(NC(C(=O)O)CC2=CN=CN2)=C2C(C=CC=C2)=NC2=C1C=CC=C2 |