| SpectraBase Compound ID | 4m2XrqN5YiF |
|---|---|
| InChI | InChI=1S/C12H24N6S2/c1-11(2,3)15-9(19)17-13-7-8-14-18-10(20)16-12(4,5)6/h7-8H,1-6H3,(H2,15,17,19)(H2,16,18,20)/b13-7+,14-8+ |
| InChIKey | CUKVJPQNPOQDQY-FNCQTZNRSA-N |
| Mol Weight | 316.49 g/mol |
| Molecular Formula | C12H24N6S2 |
| Exact Mass | 316.150387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QyOvyYxs4X |
|---|---|
| Name | Glyoxal, bis(4-tert-butyl-3-thiosemicarbazone) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.150387145 u |
| Formula | C12H24N6S2 |
| InChI | InChI=1S/C12H24N6S2/c1-11(2,3)15-9(19)17-13-7-8-14-18-10(20)16-12(4,5)6/h7-8H,1-6H3,(H2,15,17,19)(H2,16,18,20)/b13-7+,14-8+ |
| InChIKey | CUKVJPQNPOQDQY-FNCQTZNRSA-N |
| Molecular Weight | 316.486 g/mol |
| SMILES | N(C(C)(C)C)C(N\N=C\C=N\NC(NC(C)(C)C)=S)=S |