| SpectraBase Compound ID | 4pA8CwpVCKr |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c1-11(17(20)21-2)18-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11H,1-2H3,(H,18,19) |
| InChIKey | KSFDBYJGZVPENL-UHFFFAOYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16dRLaUchNM |
|---|---|
| Name | 2-(Acridin-9-ylamino)-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c1-11(17(20)21-2)18-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11H,1-2H3,(H,18,19) |
| InChIKey | KSFDBYJGZVPENL-UHFFFAOYSA-N |
| SMILES | C1(NC(C(=O)OC)C)=C2C(C=CC=C2)=NC2=C1C=CC=C2 |