| SpectraBase Compound ID | 4jyP2nJ6SWb |
|---|---|
| InChI | InChI=1S/C15H10ClNO2S/c16-13-8-6-12(7-9-13)10-15(11-17)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+ |
| InChIKey | XXQWGNZCCQXAFY-XNTDXEJSSA-N |
| Mol Weight | 303.76 g/mol |
| Molecular Formula | C15H10ClNO2S |
| Exact Mass | 303.012077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tfvD9rNVxY |
|---|---|
| Name | (E)-2-(Benzenesulfonyl)-3-(4-chlorophenyl)-2-propenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.012077438 u |
| Formula | C15H10ClNO2S |
| InChI | InChI=1S/C15H10ClNO2S/c16-13-8-6-12(7-9-13)10-15(11-17)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+ |
| InChIKey | XXQWGNZCCQXAFY-XNTDXEJSSA-N |
| Molecular Weight | 303.763 g/mol |
| SMILES | C=1(\C=C/(S(=O)(=O)C=2C=CC=CC2)C#N)C=CC(=CC1)Cl |