![2-[(3-Nitrophenyl)sulfonylamino]acetic acid tert-butyl ester](/api/spectrum/EzVcaXiI4gf/structure.png?h=300&w=458 "2-[(3-Nitrophenyl)sulfonylamino]acetic acid tert-butyl ester")
| SpectraBase Compound ID | JAMKS8pGjLS |
|---|---|
| InChI | InChI=1S/C12H16N2O6S/c1-12(2,3)20-11(15)8-13-21(18,19)10-6-4-5-9(7-10)14(16)17/h4-7,13H,8H2,1-3H3 |
| InChIKey | DPHAOBJBPBESAC-UHFFFAOYSA-N |
| Mol Weight | 316.33 g/mol |
| Molecular Formula | C12H16N2O6S |
| Exact Mass | 316.072907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzVcaXiI4gf |
|---|---|
| Name | 2-[(3-Nitrophenyl)sulfonylamino]acetic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.072907411 u |
| Formula | C12H16N2O6S |
| InChI | InChI=1S/C12H16N2O6S/c1-12(2,3)20-11(15)8-13-21(18,19)10-6-4-5-9(7-10)14(16)17/h4-7,13H,8H2,1-3H3 |
| InChIKey | DPHAOBJBPBESAC-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | CC(OC(CNS(C1=CC(N(=O)=O)=CC=C1)(=O)=O)=O)(C)C |