| SpectraBase Compound ID | GzrW9jeO97g |
|---|---|
| InChI | InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | VEIXFEJMHJPUBS-UHFFFAOYSA-N |
| Mol Weight | 194.62 g/mol |
| Molecular Formula | C9H7ClN2O |
| Exact Mass | 194.024691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KZmt1CxGCw |
|---|---|
| Name | 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.024690552 u |
| Formula | C9H7ClN2O |
| InChI | InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | VEIXFEJMHJPUBS-UHFFFAOYSA-N |
| Molecular Weight | 194.621 g/mol |
| SMILES | C(Cl)C1=NOC(=N1)C1=CC=CC=C1 |