| SpectraBase Compound ID | 2HFZ2Jb3NNz |
|---|---|
| InChI | InChI=1S/C12H12N2OS/c1-9-10(8-14(2)13-9)5-6-11(15)12-4-3-7-16-12/h3-8H,1-2H3/b6-5+ |
| InChIKey | AURXODWECZEMDG-AATRIKPKSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C12H12N2OS |
| Exact Mass | 232.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bx6mfLsCINp |
|---|---|
| Name | 3-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-thiophen-2-yl-propenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.067034187 u |
| Formula | C12H12N2OS |
| InChI | InChI=1S/C12H12N2OS/c1-9-10(8-14(2)13-9)5-6-11(15)12-4-3-7-16-12/h3-8H,1-2H3/b6-5+ |
| InChIKey | AURXODWECZEMDG-AATRIKPKSA-N |
| Molecular Weight | 232.301 g/mol |
| SMILES | C(\C=C\C1=CN(C)N=C1C)(=O)C1=CC=CS1 |