![N-[(p-acetamidophenyl)sulfonyl]glycine, cyanomethyl ester](/api/spectrum/53TgtSSPJ2p/structure.png?h=300&w=458 "N-[(p-acetamidophenyl)sulfonyl]glycine, cyanomethyl ester")
| SpectraBase Compound ID | 4rmW6YHTWTg |
|---|---|
| InChI | InChI=1S/C12H13N3O5S/c1-9(16)15-10-2-4-11(5-3-10)21(18,19)14-8-12(17)20-7-6-13/h2-5,14H,7-8H2,1H3,(H,15,16) |
| InChIKey | VYBPQJFLUPDSSQ-UHFFFAOYSA-N |
| Mol Weight | 311.31 g/mol |
| Molecular Formula | C12H13N3O5S |
| Exact Mass | 311.057592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53TgtSSPJ2p |
|---|---|
| Name | N-[(p-Acetamidophenyl)sulfonyl]glycine, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.057591700 u |
| Formula | C12H13N3O5S |
| InChI | InChI=1S/C12H13N3O5S/c1-9(16)15-10-2-4-11(5-3-10)21(18,19)14-8-12(17)20-7-6-13/h2-5,14H,7-8H2,1H3,(H,15,16) |
| InChIKey | VYBPQJFLUPDSSQ-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(S(=O)(=O)NCC(OCC#N)=O)C=C1)C(C)=O |