| SpectraBase Compound ID | 1AxvjBLMPRQ |
|---|---|
| InChI | InChI=1S/C11H10BrN5O2/c1-6-10(19)14-11(17-15-6)16-13-5-7-4-8(12)2-3-9(7)18/h2-5,18H,1H3,(H2,14,16,17,19)/b13-5+ |
| InChIKey | QODAIQABCVSDHD-WLRTZDKTSA-N |
| Mol Weight | 324.14 g/mol |
| Molecular Formula | C11H10BrN5O2 |
| Exact Mass | 323.001788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Av9qyuo4AR2 |
|---|---|
| Name | 5-Bromo-2-hydroxybenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.001787580 u |
| Formula | C11H10BrN5O2 |
| InChI | InChI=1S/C11H10BrN5O2/c1-6-10(19)14-11(17-15-6)16-13-5-7-4-8(12)2-3-9(7)18/h2-5,18H,1H3,(H2,14,16,17,19)/b13-5+ |
| InChIKey | QODAIQABCVSDHD-WLRTZDKTSA-N |
| SMILES | N1C(C(=NN=C1N\N=C\C1=C(C=CC(=C1)Br)O)C)=O |