![2-[Benzenesulfonyl(prop-2-ynyl)amino]acetic acid methyl ester](/api/spectrum/43k90pTcBDh/structure.png?h=300&w=458 "2-[Benzenesulfonyl(prop-2-ynyl)amino]acetic acid methyl ester")
| SpectraBase Compound ID | 81ifiU3jaEY |
|---|---|
| InChI | InChI=1S/C12H13NO4S/c1-3-9-13(10-12(14)17-2)18(15,16)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
| InChIKey | PELCHWFEXKIFQF-UHFFFAOYSA-N |
| Mol Weight | 267.3 g/mol |
| Molecular Formula | C12H13NO4S |
| Exact Mass | 267.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43k90pTcBDh |
|---|---|
| Name | 2-[Benzenesulfonyl(prop-2-ynyl)amino]acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.056529073 u |
| Formula | C12H13NO4S |
| InChI | InChI=1S/C12H13NO4S/c1-3-9-13(10-12(14)17-2)18(15,16)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
| InChIKey | PELCHWFEXKIFQF-UHFFFAOYSA-N |
| SMILES | C(N(S(=O)(=O)C=1C=CC=CC1)CC#C)C(=O)OC |