![3-[2-[(3-Bromophenyl)methylidene]hydrazin-1-yl]-4H-1,2,4-triazin-5-one](/api/spectrum/Ae4V6PC0xui/structure.png?h=300&w=458 "3-[2-[(3-Bromophenyl)methylidene]hydrazin-1-yl]-4H-1,2,4-triazin-5-one")
| SpectraBase Compound ID | 3Q6hSn4CihQ |
|---|---|
| InChI | InChI=1S/C10H8BrN5O/c11-8-3-1-2-7(4-8)5-12-15-10-14-9(17)6-13-16-10/h1-6H,(H2,14,15,16,17)/b12-5+ |
| InChIKey | BXULXELSARXONJ-LFYBBSHMSA-N |
| Mol Weight | 294.11 g/mol |
| Molecular Formula | C10H8BrN5O |
| Exact Mass | 292.991223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ae4V6PC0xui |
|---|---|
| Name | 3-[2-[(3-Bromophenyl)methylidene]hydrazin-1-yl]-4H-1,2,4-triazin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.991222897 u |
| Formula | C10H8BrN5O |
| InChI | InChI=1S/C10H8BrN5O/c11-8-3-1-2-7(4-8)5-12-15-10-14-9(17)6-13-16-10/h1-6H,(H2,14,15,16,17)/b12-5+ |
| InChIKey | BXULXELSARXONJ-LFYBBSHMSA-N |
| Molecular Weight | 294.112 g/mol |
| SMILES | C1=CC=C(C=C1Br)\C=N\NC=1NC(C=NN1)=O |