| SpectraBase Compound ID | 9AEIH5m2osF |
|---|---|
| InChI | InChI=1S/C13H16N4S/c1-8-4-5-9(2)11(6-8)14-13(18)15-12-7-10(3)16-17-12/h4-7H,1-3H3,(H3,14,15,16,17,18) |
| InChIKey | VJCTXNRTCNNCDC-UHFFFAOYSA-N |
| Mol Weight | 260.36 g/mol |
| Molecular Formula | C13H16N4S |
| Exact Mass | 260.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMXpBVGPx3v |
|---|---|
| Name | Thiourea, N-(2,5-dimethylphenyl)-N'-(3-methyl-1H-pyrazol-5-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.109567705 u |
| Formula | C13H16N4S |
| InChI | InChI=1S/C13H16N4S/c1-8-4-5-9(2)11(6-8)14-13(18)15-12-7-10(3)16-17-12/h4-7H,1-3H3,(H3,14,15,16,17,18) |
| InChIKey | VJCTXNRTCNNCDC-UHFFFAOYSA-N |
| SMILES | N(C(NC1=C(C=CC(=C1)C)C)=S)C1=CC(=NN1)C |