| SpectraBase Compound ID | 2XM4ml6fhAE |
|---|---|
| InChI | InChI=1S/C15H18N4OS/c1-11(2)10-14(20)18-13-7-5-12(6-8-13)4-3-9-17-19-15(16)21/h3-10H,1-2H3,(H,18,20)(H3,16,19,21) |
| InChIKey | FYUKXBWRLLMVSZ-UHFFFAOYSA-N |
| Mol Weight | 302.4 g/mol |
| Molecular Formula | C15H18N4OS |
| Exact Mass | 302.120132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PpswFSWpQ3 |
|---|---|
| Name | 4'-(2-Formyvinyl)-3-methylcrotonanilide, thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.120132389 u |
| Formula | C15H18N4OS |
| InChI | InChI=1S/C15H18N4OS/c1-11(2)10-14(20)18-13-7-5-12(6-8-13)4-3-9-17-19-15(16)21/h3-10H,1-2H3,(H,18,20)(H3,16,19,21) |
| InChIKey | FYUKXBWRLLMVSZ-UHFFFAOYSA-N |
| Molecular Weight | 302.396 g/mol |
| SMILES | N(N=CC=CC1=CC=C(C=C1)NC(C=C(C)C)=O)C(N)=S |