| SpectraBase Compound ID | Hl7bPiD4Zm0 |
|---|---|
| InChI | InChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12) |
| InChIKey | XWAXHIDHWALRFG-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C9H8N2O3 |
| Exact Mass | 192.053492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2J9I3V1YeBX |
|---|---|
| Name | 3-(4-Methoxyphenyl)-4H-1,2,4-oxadiazol-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.053492123 u |
| Formula | C9H8N2O3 |
| InChI | InChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12) |
| InChIKey | XWAXHIDHWALRFG-UHFFFAOYSA-N |
| Molecular Weight | 192.174 g/mol |
| SMILES | COC=1C=CC(C2=NOC(N2)=O)=CC1 |