| SpectraBase Compound ID | GCVLcWBPMKO |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-4-19-11(15)13(2,3)12(16)20-10-7-5-6-9(8-10)14(17)18/h5-8H,4H2,1-3H3 |
| InChIKey | HKGFQZNVWYAOCJ-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C13H15NO6 |
| Exact Mass | 281.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE6UKUxTOHs |
|---|---|
| Name | Dimethylmalonic acid, ethyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.089937201 u |
| Formula | C13H15NO6 |
| InChI | InChI=1S/C13H15NO6/c1-4-19-11(15)13(2,3)12(16)20-10-7-5-6-9(8-10)14(17)18/h5-8H,4H2,1-3H3 |
| InChIKey | HKGFQZNVWYAOCJ-UHFFFAOYSA-N |
| SMILES | C(C(C(OCC)=O)(C)C)(OC1=CC(=CC=C1)N(=O)=O)=O |