| SpectraBase Compound ID | 5zdfcOlASA2 |
|---|---|
| InChI | InChI=1S/C16H20N2O8/c1-2-3-4-7-25-15(19)5-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3 |
| InChIKey | LXKTXEQFMIEWFO-UHFFFAOYSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C16H20N2O8 |
| Exact Mass | 368.121966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcwyrH2mg8w |
|---|---|
| Name | Succinic acid, 3,5-dinitrobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.121965604 u |
| Formula | C16H20N2O8 |
| InChI | InChI=1S/C16H20N2O8/c1-2-3-4-7-25-15(19)5-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3 |
| InChIKey | LXKTXEQFMIEWFO-UHFFFAOYSA-N |
| Molecular Weight | 368.342 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=C(N(=O)=O)C1)N(=O)=O)=O)(OCCCCC)=O |