| SpectraBase Compound ID | C1PKQx3iFfn |
|---|---|
| InChI | InChI=1S/C16H17N3S2/c1-2-17-16(20)19-14(12-7-4-3-5-8-12)11-13(18-19)15-9-6-10-21-15/h3-10,14H,2,11H2,1H3,(H,17,20) |
| InChIKey | RBPPEMQKNSSJGA-UHFFFAOYSA-N |
| Mol Weight | 315.45 g/mol |
| Molecular Formula | C16H17N3S2 |
| Exact Mass | 315.08639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACFlfeGBo3F |
|---|---|
| Name | 1-N-Ethylthiocarbamoyl-3-(2-thienyl)-5-phenyl-2-pyrazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.086389907 u |
| Formula | C16H17N3S2 |
| InChI | InChI=1S/C16H17N3S2/c1-2-17-16(20)19-14(12-7-4-3-5-8-12)11-13(18-19)15-9-6-10-21-15/h3-10,14H,2,11H2,1H3,(H,17,20) |
| InChIKey | RBPPEMQKNSSJGA-UHFFFAOYSA-N |
| Molecular Weight | 315.453 g/mol |
| SMILES | C1(=NN(C(C1)C=1C=CC=CC1)C(NCC)=S)C1=CC=CS1 |