| SpectraBase Compound ID | 2fPtXByKOFa |
|---|---|
| InChI | InChI=1S/C15H13NO3S2/c1-12-6-8-13(9-7-12)21(18,19)16-10-2-4-14(17)15-5-3-11-20-15/h3,5-9,11,16H,10H2,1H3 |
| InChIKey | DCIZQAXRNDYAPZ-UHFFFAOYSA-N |
| Mol Weight | 319.39 g/mol |
| Molecular Formula | C15H13NO3S2 |
| Exact Mass | 319.033686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZPoOERUPBa |
|---|---|
| Name | N-(4-oxo-40Thiophen-2-ylbut-2-ynyl)-4-methylbenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.033685628 u |
| Formula | C15H13NO3S2 |
| InChI | InChI=1S/C15H13NO3S2/c1-12-6-8-13(9-7-12)21(18,19)16-10-2-4-14(17)15-5-3-11-20-15/h3,5-9,11,16H,10H2,1H3 |
| InChIKey | DCIZQAXRNDYAPZ-UHFFFAOYSA-N |
| Molecular Weight | 319.393 g/mol |
| SMILES | C=1(S(=O)(=O)NCC#CC(C=2SC=CC2)=O)C=CC(=CC1)C |