| SpectraBase Compound ID | K7PlKlgnEUt |
|---|---|
| InChI | InChI=1S/C17H23N3O4/c1-24-17(21)9-7-5-3-2-4-6-8-16-18-14-11-10-13(20(22)23)12-15(14)19-16/h10-12H,2-9H2,1H3,(H,18,19) |
| InChIKey | ARTKQIPBHNDKQN-UHFFFAOYSA-N |
| Mol Weight | 333.39 g/mol |
| Molecular Formula | C17H23N3O4 |
| Exact Mass | 333.168856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26bDQUmFR0C |
|---|---|
| Name | 5-Nitro-2-benzimidazolenonanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.168856229 u |
| Formula | C17H23N3O4 |
| InChI | InChI=1S/C17H23N3O4/c1-24-17(21)9-7-5-3-2-4-6-8-16-18-14-11-10-13(20(22)23)12-15(14)19-16/h10-12H,2-9H2,1H3,(H,18,19) |
| InChIKey | ARTKQIPBHNDKQN-UHFFFAOYSA-N |
| Molecular Weight | 333.388 g/mol |
| SMILES | N1C=2C=CC(=CC2N=C1CCCCCCCCC(OC)=O)N(=O)=O |