| SpectraBase Compound ID | B5L5fIymvOK |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-2-19-12(15)7-4-8-13(16)20-11-6-3-5-10(9-11)14(17)18/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | WFZFKNUUUPOIHR-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C13H15NO6 |
| Exact Mass | 281.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7tulhzxPYR |
|---|---|
| Name | Glutaric acid, ethyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.089937201 u |
| Formula | C13H15NO6 |
| InChI | InChI=1S/C13H15NO6/c1-2-19-12(15)7-4-8-13(16)20-11-6-3-5-10(9-11)14(17)18/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | WFZFKNUUUPOIHR-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(OC(=O)CCCC(OCC)=O)C=C1)N(=O)=O |