![Ethanone, 1-[1-(4-chlorophenyl)-4-(2-thenoyl)-pyrazol-3-yl]-](/api/spectrum/H0e0shAF9hd/structure.png?h=300&w=458 "Ethanone, 1-[1-(4-chlorophenyl)-4-(2-thenoyl)-pyrazol-3-yl]-")
| SpectraBase Compound ID | Ata3GdYJn2V |
|---|---|
| InChI | InChI=1S/C16H11ClN2O2S/c1-10(20)15-13(16(21)14-3-2-8-22-14)9-19(18-15)12-6-4-11(17)5-7-12/h2-9H,1H3 |
| InChIKey | VHRLPRNPDXEMLL-UHFFFAOYSA-N |
| Mol Weight | 330.79 g/mol |
| Molecular Formula | C16H11ClN2O2S |
| Exact Mass | 330.022976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0e0shAF9hd |
|---|---|
| Name | Ethanone, 1-[1-(4-chlorophenyl)-4-(2-thenoyl)-pyrazol-3-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.022976474 u |
| Formula | C16H11ClN2O2S |
| InChI | InChI=1S/C16H11ClN2O2S/c1-10(20)15-13(16(21)14-3-2-8-22-14)9-19(18-15)12-6-4-11(17)5-7-12/h2-9H,1H3 |
| InChIKey | VHRLPRNPDXEMLL-UHFFFAOYSA-N |
| Molecular Weight | 330.789 g/mol |
| SMILES | C=1(C(=NN(C1)C=1C=CC(=CC1)Cl)C(C)=O)C(C=1SC=CC1)=O |