| SpectraBase Compound ID | GWmS3mQtbAO |
|---|---|
| InChI | InChI=1S/C13H18N4S/c1-10(15-16-13(14)18)4-5-11-6-8-12(9-7-11)17(2)3/h4-9H,1-3H3,(H3,14,16,18)/b5-4+,15-10+ |
| InChIKey | NWKAPIHJDZDGMQ-DPTKGTOLSA-N |
| Mol Weight | 262.38 g/mol |
| Molecular Formula | C13H18N4S |
| Exact Mass | 262.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UiYc2x1L7N |
|---|---|
| Name | 4-(p-(Dimethylamino)phenyl)-3-buten-2-one thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.125217770 u |
| Formula | C13H18N4S |
| InChI | InChI=1S/C13H18N4S/c1-10(15-16-13(14)18)4-5-11-6-8-12(9-7-11)17(2)3/h4-9H,1-3H3,(H3,14,16,18)/b5-4+,15-10+ |
| InChIKey | NWKAPIHJDZDGMQ-DPTKGTOLSA-N |
| SMILES | C1=C(C=CC(=C1)N(C)C)\C=C\C(=N\NC(N)=S)C |