| SpectraBase Compound ID | H5ALMDcazKZ |
|---|---|
| InChI | InChI=1S/C13H16N4OS/c1-9(2)7-12(18)16-11-5-3-10(4-6-11)8-15-17-13(14)19/h3-8H,1-2H3,(H,16,18)(H3,14,17,19)/b15-8+ |
| InChIKey | GVZYMHCLGPCWIJ-OVCLIPMQSA-N |
| Mol Weight | 276.36 g/mol |
| Molecular Formula | C13H16N4OS |
| Exact Mass | 276.104482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7quhZulTnAB |
|---|---|
| Name | 4'-Formyl-3-methylcrotonanilide, 4'-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.104482324 u |
| Formula | C13H16N4OS |
| InChI | InChI=1S/C13H16N4OS/c1-9(2)7-12(18)16-11-5-3-10(4-6-11)8-15-17-13(14)19/h3-8H,1-2H3,(H,16,18)(H3,14,17,19)/b15-8+ |
| InChIKey | GVZYMHCLGPCWIJ-OVCLIPMQSA-N |
| Molecular Weight | 276.358 g/mol |
| SMILES | N(C(=O)C=C(C)C)C=1C=CC(\C=N\NC(N)=S)=CC1 |