![N-[4-Oxo-4-phenylbut-2-ynyl]-4-methylbenzenesulfonamide](/api/spectrum/F6IZeK7xyUL/structure.png?h=300&w=458 "N-[4-Oxo-4-phenylbut-2-ynyl]-4-methylbenzenesulfonamide")
| SpectraBase Compound ID | 3bf5Befyipx |
|---|---|
| InChI | InChI=1S/C17H15NO3S/c1-14-9-11-16(12-10-14)22(20,21)18-13-5-8-17(19)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,13H2,1H3 |
| InChIKey | YVOPVFRBQADQBI-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C17H15NO3S |
| Exact Mass | 313.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6IZeK7xyUL |
|---|---|
| Name | N-[4-oxo-4-Phenylbut-2-ynyl]-4-methylbenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.077264518 u |
| Formula | C17H15NO3S |
| InChI | InChI=1S/C17H15NO3S/c1-14-9-11-16(12-10-14)22(20,21)18-13-5-8-17(19)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,13H2,1H3 |
| InChIKey | YVOPVFRBQADQBI-UHFFFAOYSA-N |
| Molecular Weight | 313.371 g/mol |
| SMILES | C1(S(=O)(=O)NCC#CC(=O)C2=CC=CC=C2)=CC=C(C=C1)C |