| SpectraBase Compound ID | AOOxVw521wE |
|---|---|
| InChI | InChI=1S/C6H6Cl2N2O2/c1-3-2-4(10-12-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,10,11) |
| InChIKey | CAQQSVVSXVAOTQ-UHFFFAOYSA-N |
| Mol Weight | 209.03 g/mol |
| Molecular Formula | C6H6Cl2N2O2 |
| Exact Mass | 207.980633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bckam0G2a8m |
|---|---|
| Name | 2,2-Dichloro-N-(5-methyl-3-isoxazolyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.980632839 u |
| Formula | C6H6Cl2N2O2 |
| InChI | InChI=1S/C6H6Cl2N2O2/c1-3-2-4(10-12-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,10,11) |
| InChIKey | CAQQSVVSXVAOTQ-UHFFFAOYSA-N |
| SMILES | N(C1=NOC(=C1)C)C(C(Cl)Cl)=O |