| SpectraBase Compound ID | 7rNu3oY8jCu |
|---|---|
| InChI | InChI=1S/C11H9N3O4/c12-10-9(13-18-14-10)11(16)17-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,14) |
| InChIKey | FTHZYFRLLUDLIS-UHFFFAOYSA-N |
| Mol Weight | 247.21 g/mol |
| Molecular Formula | C11H9N3O4 |
| Exact Mass | 247.059306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11roH4l5yOh |
|---|---|
| Name | 2-oxo-2-Phenylethyl 4-amino-1,2,5-oxadiazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.059305778 u |
| Formula | C11H9N3O4 |
| InChI | InChI=1S/C11H9N3O4/c12-10-9(13-18-14-10)11(16)17-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,14) |
| InChIKey | FTHZYFRLLUDLIS-UHFFFAOYSA-N |
| Molecular Weight | 247.210 g/mol |
| SMILES | NC=1C(=NON1)C(OCC(=O)C1=CC=CC=C1)=O |