| SpectraBase Compound ID | EBlQPduoN69 |
|---|---|
| InChI | InChI=1S/C12H11BrN2O2/c1-17-8-15-11(16)7-10(13)12(14-15)9-5-3-2-4-6-9/h2-7H,8H2,1H3 |
| InChIKey | LOHUYZBVMSJRFD-UHFFFAOYSA-N |
| Mol Weight | 295.14 g/mol |
| Molecular Formula | C12H11BrN2O2 |
| Exact Mass | 294.000391 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CFDJ8Td5dcW |
|---|---|
| Name | 5-Bromo-2-methoxymethyl-6-phenylpyridazin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.000390600 u |
| Formula | C12H11BrN2O2 |
| InChI | InChI=1S/C12H11BrN2O2/c1-17-8-15-11(16)7-10(13)12(14-15)9-5-3-2-4-6-9/h2-7H,8H2,1H3 |
| InChIKey | LOHUYZBVMSJRFD-UHFFFAOYSA-N |
| SMILES | C1(N(N=C(C(=C1)Br)C1=CC=CC=C1)COC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814231 |