| SpectraBase Compound ID | FJDb1yboJIN |
|---|---|
| InChI | InChI=1S/C16H12N2O2/c19-18(20)14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16/h1-10H,11H2 |
| InChIKey | LPWRITSNOKMLAT-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C16H12N2O2 |
| Exact Mass | 264.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JjrrwDPxsiH |
|---|---|
| Name | 1-(4-Nitrobenzyl)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.089877632 u |
| Formula | C16H12N2O2 |
| InChI | InChI=1S/C16H12N2O2/c19-18(20)14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16/h1-10H,11H2 |
| InChIKey | LPWRITSNOKMLAT-UHFFFAOYSA-N |
| Molecular Weight | 264.284 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)CC1=NC=CC2=C1C=CC=C2 |