| SpectraBase Compound ID | 7V7bGLtvqPY |
|---|---|
| InChI | InChI=1S/C11H12N4S/c1-7-9(6-13-15-11(12)16)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H3,12,15,16)/b13-6+ |
| InChIKey | OPTOHAXPYRWXHN-AWNIVKPZSA-N |
| Mol Weight | 232.31 g/mol |
| Molecular Formula | C11H12N4S |
| Exact Mass | 232.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPGGAFPKvdg |
|---|---|
| Name | Indole-3-carboxaldehyde, 2-methyl-, thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.078267576 u |
| Formula | C11H12N4S |
| InChI | InChI=1S/C11H12N4S/c1-7-9(6-13-15-11(12)16)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H3,12,15,16)/b13-6+ |
| InChIKey | OPTOHAXPYRWXHN-AWNIVKPZSA-N |
| Molecular Weight | 232.305 g/mol |
| SMILES | C1(=C(NC=2C1=CC=CC2)C)\C=N\NC(=S)N |