| SpectraBase Compound ID | 2SmkDNgRO4w |
|---|---|
| InChI | InChI=1S/C11H7Cl2NO3/c1-16-11(15)9-5-8(14-17-9)10-6(12)3-2-4-7(10)13/h2-5H,1H3 |
| InChIKey | IPTDZMPDEBUJGB-UHFFFAOYSA-N |
| Mol Weight | 272.09 g/mol |
| Molecular Formula | C11H7Cl2NO3 |
| Exact Mass | 270.980298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Acm1zJSeJsJ |
|---|---|
| Name | 3-(2,6-Dichlorophenyl)isoxazole-5-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.980298486 u |
| Formula | C11H7Cl2NO3 |
| InChI | InChI=1S/C11H7Cl2NO3/c1-16-11(15)9-5-8(14-17-9)10-6(12)3-2-4-7(10)13/h2-5H,1H3 |
| InChIKey | IPTDZMPDEBUJGB-UHFFFAOYSA-N |
| SMILES | C1(=NOC(=C1)C(=O)OC)C=1C(=CC=CC1Cl)Cl |