| SpectraBase Compound ID | JVb9AL3zsKM |
|---|---|
| InChI | InChI=1S/C16H20N2O8/c1-2-3-7-25-15(19)5-4-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3 |
| InChIKey | UFNZDLPMUMFOST-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 | HFvsFl2r1NT |
|---|---|
| Name | Glutaric acid, butyl 3,5-dinitrobenzyl 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/c1-2-3-7-25-15(19)5-4-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3 |
| InChIKey | UFNZDLPMUMFOST-UHFFFAOYSA-N |
| Molecular Weight | 368.342 g/mol |
| SMILES | C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCCC)=O |