![4-Isoxazolecarboxylic acid, 3-cyclopropyl-5-[(cyclopropylamino)carbonyl]-](/api/spectrum/Aget46ntvBo/structure.png?h=300&w=458 "4-Isoxazolecarboxylic acid, 3-cyclopropyl-5-[(cyclopropylamino)carbonyl]-")
| SpectraBase Compound ID | Kk1486eNems |
|---|---|
| InChI | InChI=1S/C11H12N2O4/c14-10(12-6-3-4-6)9-7(11(15)16)8(13-17-9)5-1-2-5/h5-6H,1-4H2,(H,12,14)(H,15,16) |
| InChIKey | BGSRJUHIXUNRLU-UHFFFAOYSA-N |
| Mol Weight | 236.23 g/mol |
| Molecular Formula | C11H12N2O4 |
| Exact Mass | 236.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aget46ntvBo |
|---|---|
| Name | 4-Isoxazolecarboxylic acid, 3-cyclopropyl-5-[(cyclopropylamino)carbonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.079706870 u |
| Formula | C11H12N2O4 |
| InChI | InChI=1S/C11H12N2O4/c14-10(12-6-3-4-6)9-7(11(15)16)8(13-17-9)5-1-2-5/h5-6H,1-4H2,(H,12,14)(H,15,16) |
| InChIKey | BGSRJUHIXUNRLU-UHFFFAOYSA-N |
| SMILES | N(C(C=1ON=C(C1C(=O)O)C1CC1)=O)C1CC1 |