| SpectraBase Compound ID | GxrWsN2LwQc |
|---|---|
| InChI | InChI=1S/C13H14N2O8/c1-2-22-12(16)3-4-13(17)23-8-9-5-10(14(18)19)7-11(6-9)15(20)21/h5-7H,2-4,8H2,1H3 |
| InChIKey | ARJZQKPMMNDTOX-UHFFFAOYSA-N |
| Mol Weight | 326.26 g/mol |
| Molecular Formula | C13H14N2O8 |
| Exact Mass | 326.075015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwHTptsOpC5 |
|---|---|
| Name | Succinic acid, 3,5-dinitrobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.075015411 u |
| Formula | C13H14N2O8 |
| InChI | InChI=1S/C13H14N2O8/c1-2-22-12(16)3-4-13(17)23-8-9-5-10(14(18)19)7-11(6-9)15(20)21/h5-7H,2-4,8H2,1H3 |
| InChIKey | ARJZQKPMMNDTOX-UHFFFAOYSA-N |
| Molecular Weight | 326.261 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=C(N(=O)=O)C1)N(=O)=O)=O)(OCC)=O |