| SpectraBase Compound ID | JCOu0sbFwsN |
|---|---|
| InChI | InChI=1S/C15H13NO3S/c1-20-15-9-12(16-19-15)5-3-2-4-11-6-7-13-14(8-11)18-10-17-13/h2-9H,10H2,1H3/b4-2-,5-3- |
| InChIKey | CQZVLPZHOGQTFO-JVLMNHKTSA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C15H13NO3S |
| Exact Mass | 287.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C03DpaQuc3X |
|---|---|
| Name | 5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.061614454 u |
| Formula | C15H13NO3S |
| InChI | InChI=1S/C15H13NO3S/c1-20-15-9-12(16-19-15)5-3-2-4-11-6-7-13-14(8-11)18-10-17-13/h2-9H,10H2,1H3/b4-2-,5-3- |
| InChIKey | CQZVLPZHOGQTFO-JVLMNHKTSA-N |
| SMILES | C1=C(ON=C1\C=C/C=C\C=1C=C2OCOC2=CC1)SC |