![5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(methylthio)isoxazole](/api/spectrum/8lI7iEYy92/structure.png?h=300&w=458 "5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(methylthio)isoxazole")
| SpectraBase Compound ID | 1x6gzmuYVwY |
|---|---|
| InChI | InChI=1S/C12H9Cl2NOS/c1-17-12-7-10(16-15-12)5-3-8-2-4-9(13)6-11(8)14/h2-7H,1H3/b5-3+ |
| InChIKey | YHXJTBDXXRRDIZ-HWKANZROSA-N |
| Mol Weight | 286.18 g/mol |
| Molecular Formula | C12H9Cl2NOS |
| Exact Mass | 284.97819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lI7iEYy92 |
|---|---|
| Name | 5-[(E)-2-(2,4-Dichlorophenyl)ethenyl]-3-(methylthio)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.978190487 u |
| Formula | C12H9Cl2NOS |
| InChI | InChI=1S/C12H9Cl2NOS/c1-17-12-7-10(16-15-12)5-3-8-2-4-9(13)6-11(8)14/h2-7H,1H3/b5-3+ |
| InChIKey | YHXJTBDXXRRDIZ-HWKANZROSA-N |
| Molecular Weight | 286.176 g/mol |
| SMILES | C1(=NOC(=C1)\C=C\C=1C(=CC(=CC1)Cl)Cl)SC |