![Methyl {[(2-nitrophenyl)sulfonyl]amino}acetate](/api/spectrum/FqUfyW3yAU8/structure.png?h=300&w=458 "Methyl {[(2-nitrophenyl)sulfonyl]amino}acetate")
| SpectraBase Compound ID | 6fsnQq5mvvr |
|---|---|
| InChI | InChI=1S/C9H10N2O6S/c1-17-9(12)6-10-18(15,16)8-5-3-2-4-7(8)11(13)14/h2-5,10H,6H2,1H3 |
| InChIKey | LDMGQCBNJVSAQZ-UHFFFAOYSA-N |
| Mol Weight | 274.25 g/mol |
| Molecular Formula | C9H10N2O6S |
| Exact Mass | 274.025957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqUfyW3yAU8 |
|---|---|
| Name | Methyl {[(2-nitrophenyl)sulfonyl]amino}acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.025957218 u |
| Formula | C9H10N2O6S |
| InChI | InChI=1S/C9H10N2O6S/c1-17-9(12)6-10-18(15,16)8-5-3-2-4-7(8)11(13)14/h2-5,10H,6H2,1H3 |
| InChIKey | LDMGQCBNJVSAQZ-UHFFFAOYSA-N |
| SMILES | C(NS(=O)(=O)C1=C(C=CC=C1)N(=O)=O)C(=O)OC |