![4-Hexynoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester](/api/spectrum/Ikhp0ohYn3m/structure.png?h=300&w=458 "4-Hexynoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester")
| SpectraBase Compound ID | 2Wyk2QZzWGC |
|---|---|
| InChI | InChI=1S/C15H19NO4S/c1-4-6-7-14(15(17)20-5-2)16-21(18,19)13-10-8-12(3)9-11-13/h8-11,14,16H,5,7H2,1-3H3 |
| InChIKey | RBDBUXLTVMEIKS-UHFFFAOYSA-N |
| Mol Weight | 309.38 g/mol |
| Molecular Formula | C15H19NO4S |
| Exact Mass | 309.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ikhp0ohYn3m |
|---|---|
| Name | 4-Hexynoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.103479266 u |
| Formula | C15H19NO4S |
| InChI | InChI=1S/C15H19NO4S/c1-4-6-7-14(15(17)20-5-2)16-21(18,19)13-10-8-12(3)9-11-13/h8-11,14,16H,5,7H2,1-3H3 |
| InChIKey | RBDBUXLTVMEIKS-UHFFFAOYSA-N |
| Molecular Weight | 309.380 g/mol |
| SMILES | C(NS(C=1C=CC(=CC1)C)(=O)=O)(C(=O)OCC)CC#CC |