![5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(methylthio)isoxazole](/api/spectrum/4Ip2ICquzJn/structure.png?h=300&w=458 "5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(methylthio)isoxazole")
| SpectraBase Compound ID | 5uuEr8pzgNB |
|---|---|
| InChI | InChI=1S/C12H10ClNOS/c1-16-12-8-11(15-14-12)7-4-9-2-5-10(13)6-3-9/h2-8H,1H3/b7-4+ |
| InChIKey | VCBFGUAOVUTNMW-QPJJXVBHSA-N |
| Mol Weight | 251.73 g/mol |
| Molecular Formula | C12H10ClNOS |
| Exact Mass | 251.017163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ip2ICquzJn |
|---|---|
| Name | 5-[(E)-2-(4-Chlorophenyl)ethenyl]-3-(methylthio)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.017162819 u |
| Formula | C12H10ClNOS |
| InChI | InChI=1S/C12H10ClNOS/c1-16-12-8-11(15-14-12)7-4-9-2-5-10(13)6-3-9/h2-8H,1H3/b7-4+ |
| InChIKey | VCBFGUAOVUTNMW-QPJJXVBHSA-N |
| Molecular Weight | 251.731 g/mol |
| SMILES | C1(=NOC(=C1)\C=C\C=1C=CC(=CC1)Cl)SC |