| SpectraBase Compound ID | HyL43FcJyZA |
|---|---|
| InChI | InChI=1S/C15H18N2O8/c1-10(2)8-24-14(18)3-4-15(19)25-9-11-5-12(16(20)21)7-13(6-11)17(22)23/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey | FXSUKLDBWMXNKE-UHFFFAOYSA-N |
| Mol Weight | 354.32 g/mol |
| Molecular Formula | C15H18N2O8 |
| Exact Mass | 354.106316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8ya1HGJNO3 |
|---|---|
| Name | Succinic acid, 3,5-dinitrobenzyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.106315540 u |
| Formula | C15H18N2O8 |
| InChI | InChI=1S/C15H18N2O8/c1-10(2)8-24-14(18)3-4-15(19)25-9-11-5-12(16(20)21)7-13(6-11)17(22)23/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey | FXSUKLDBWMXNKE-UHFFFAOYSA-N |
| Molecular Weight | 354.315 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=C(N(=O)=O)C1)N(=O)=O)=O)(OCC(C)C)=O |