![3H-Pyrido[3,4-b]indole, methanone deriv.](/api/spectrum/6M7pVEDAOLc/structure.png?h=300&w=458 "3H-Pyrido[3,4-b]indole, methanone deriv.")
| SpectraBase Compound ID | BOXeAyxAGfP |
|---|---|
| InChI | InChI=1S/C20H18N2O3/c1-24-16-8-7-12(11-17(16)25-2)20(23)19-18-14(9-10-21-19)13-5-3-4-6-15(13)22-18/h3-8,11,22H,9-10H2,1-2H3 |
| InChIKey | HZFGIVCKYYADCP-UHFFFAOYSA-N |
| Mol Weight | 334.38 g/mol |
| Molecular Formula | C20H18N2O3 |
| Exact Mass | 334.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M7pVEDAOLc |
|---|---|
| Name | 3H-Pyrido[3,4-B]indole, methanone deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.131742445 u |
| Formula | C20H18N2O3 |
| InChI | InChI=1S/C20H18N2O3/c1-24-16-8-7-12(11-17(16)25-2)20(23)19-18-14(9-10-21-19)13-5-3-4-6-15(13)22-18/h3-8,11,22H,9-10H2,1-2H3 |
| InChIKey | HZFGIVCKYYADCP-UHFFFAOYSA-N |
| Molecular Weight | 334.375 g/mol |
| SMILES | C=12C(C(C=3C=C(OC)C(=CC3)OC)=O)=NCCC1C=1C=CC=CC1N2 |