| SpectraBase Compound ID | EV31AYL9HDE |
|---|---|
| InChI | InChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-15-13/h1-8H |
| InChIKey | SXMVMMSVHPRZAO-UHFFFAOYSA-N |
| Mol Weight | 229.67 g/mol |
| Molecular Formula | C13H8ClNO |
| Exact Mass | 229.029442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MpaZjkUilu |
|---|---|
| Name | 3-(4-Chlorophenyl)-benzisoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.029441581 u |
| Formula | C13H8ClNO |
| InChI | InChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-15-13/h1-8H |
| InChIKey | SXMVMMSVHPRZAO-UHFFFAOYSA-N |
| Molecular Weight | 229.666 g/mol |
| SMILES | C1(=NOC=2C=CC=CC12)C=1C=CC(=CC1)Cl |