| SpectraBase Compound ID | 7yl0O8rB94f |
|---|---|
| InChI | InChI=1S/C15H18N2O8/c1-2-6-24-14(18)4-3-5-15(19)25-10-11-7-12(16(20)21)9-13(8-11)17(22)23/h7-9H,2-6,10H2,1H3 |
| InChIKey | PEUCQTHUFGKZQI-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 | FQPyQVuc1ti |
|---|---|
| Name | Glutaric acid, 3,5-dinitrobenzyl propyl 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/c1-2-6-24-14(18)4-3-5-15(19)25-10-11-7-12(16(20)21)9-13(8-11)17(22)23/h7-9H,2-6,10H2,1H3 |
| InChIKey | PEUCQTHUFGKZQI-UHFFFAOYSA-N |
| Molecular Weight | 354.315 g/mol |
| SMILES | C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCC)=O |