| SpectraBase Compound ID | 1DauVFvcvUG |
|---|---|
| InChI | InChI=1S/C12H11N3O4/c1-6-10(11(13)19-15-6)12(16)14-7-2-3-8-9(4-7)18-5-17-8/h2-4H,5,13H2,1H3,(H,14,16) |
| InChIKey | YABSENXHVRCSLM-UHFFFAOYSA-N |
| Mol Weight | 261.24 g/mol |
| Molecular Formula | C12H11N3O4 |
| Exact Mass | 261.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba4Exk39wqz |
|---|---|
| Name | 4-Isoxazolecarboxamide, 5-amino-N-(1,3-benzodioxol-5-yl)-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.074955842 u |
| Formula | C12H11N3O4 |
| InChI | InChI=1S/C12H11N3O4/c1-6-10(11(13)19-15-6)12(16)14-7-2-3-8-9(4-7)18-5-17-8/h2-4H,5,13H2,1H3,(H,14,16) |
| InChIKey | YABSENXHVRCSLM-UHFFFAOYSA-N |
| Molecular Weight | 261.237 g/mol |
| SMILES | C1=CC2=C(C=C1NC(=O)C1=C(ON=C1C)N)OCO2 |