| SpectraBase Compound ID | LhgPXPEuVFb |
|---|---|
| InChI | InChI=1S/C11H16N4OS/c1-11(2,3)13-10(17)15-14-9(16)8-4-6-12-7-5-8/h4-7H,1-3H3,(H,14,16)(H2,13,15,17) |
| InChIKey | WHXAOFQPOPEIKU-UHFFFAOYSA-N |
| Mol Weight | 252.34 g/mol |
| Molecular Formula | C11H16N4OS |
| Exact Mass | 252.104482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32Nm219oZ3M |
|---|---|
| Name | 4-Tert-butyl-1-isonicotinoyl-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.104482324 u |
| Formula | C11H16N4OS |
| InChI | InChI=1S/C11H16N4OS/c1-11(2,3)13-10(17)15-14-9(16)8-4-6-12-7-5-8/h4-7H,1-3H3,(H,14,16)(H2,13,15,17) |
| InChIKey | WHXAOFQPOPEIKU-UHFFFAOYSA-N |
| Molecular Weight | 252.336 g/mol |
| SMILES | N(C(C1=CC=NC=C1)=O)NC(NC(C)(C)C)=S |