| SpectraBase Compound ID | JQqdUcotOx2 |
|---|---|
| InChI | InChI=1S/C10H8ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | WKLODVHSLLFKMY-UHFFFAOYSA-N |
| Mol Weight | 193.63 g/mol |
| Molecular Formula | C10H8ClNO |
| Exact Mass | 193.029442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 438SN7Wzlze |
|---|---|
| Name | 5-(Chloromethyl)-3-phenylisoxazoleisoxazole, 5-(chloromethyl)-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.029441581 u |
| Formula | C10H8ClNO |
| InChI | InChI=1S/C10H8ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | WKLODVHSLLFKMY-UHFFFAOYSA-N |
| Molecular Weight | 193.633 g/mol |
| SMILES | C1(=CC=CC=C1)C1=NOC(=C1)CCl |