| SpectraBase Compound ID | DevLvjY29Dy |
|---|---|
| InChI | InChI=1S/C17H14N2O3/c1-22-16-8-4-6-13(17(16)19(20)21)11-15-14-7-3-2-5-12(14)9-10-18-15/h2-10H,11H2,1H3 |
| InChIKey | XCXHDQXXPOJGDA-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C17H14N2O3 |
| Exact Mass | 294.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bku7qiseCgi |
|---|---|
| Name | 1-(3-Methoxy-2-nitrobenzyl)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.100442316 u |
| Formula | C17H14N2O3 |
| InChI | InChI=1S/C17H14N2O3/c1-22-16-8-4-6-13(17(16)19(20)21)11-15-14-7-3-2-5-12(14)9-10-18-15/h2-10H,11H2,1H3 |
| InChIKey | XCXHDQXXPOJGDA-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(OC)=CC=CC1CC1=NC=CC2=C1C=CC=C2 |