| SpectraBase Compound ID | 56oZTXUEPYk |
|---|---|
| InChI | InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
| Mol Weight | 174.16 g/mol |
| Molecular Formula | C9H6N2O2 |
| Exact Mass | 174.042927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 92jbURBfYKi |
|---|---|
| Name | 5-Nitroisoquinoline |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 130222 |
| CAS Registry Number | 607-32-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6N2O2 |
| InChI | InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_000861 |