| SpectraBase Compound ID | A2Bio6SUAaI |
|---|---|
| InChI | InChI=1S/C10H12ClN3O2/c1-6-2-3-7(4-8(6)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15) |
| InChIKey | QAYBBLNEYRUEHH-UHFFFAOYSA-N |
| Mol Weight | 241.68 g/mol |
| Molecular Formula | C10H12ClN3O2 |
| Exact Mass | 241.061804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7USMPYRFFKO |
|---|---|
| Name | 3'-Chloro-4'-methylmalonanilidoamidoxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.061804336 u |
| Formula | C10H12ClN3O2 |
| InChI | InChI=1S/C10H12ClN3O2/c1-6-2-3-7(4-8(6)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15) |
| InChIKey | QAYBBLNEYRUEHH-UHFFFAOYSA-N |
| Molecular Weight | 241.678 g/mol |
| SMILES | N(C1=CC=C(C(=C1)Cl)C)C(CC(=NO)N)=O |