| SpectraBase Compound ID | 7m0NqkP2Pwx |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-2-19-12(15)8-5-9-13(16)20-11-7-4-3-6-10(11)14(17)18/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | WDBSQEZZYVQESD-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 | EYiBYYkMgTy |
|---|---|
| Name | Glutaric acid, ethyl 2-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)8-5-9-13(16)20-11-7-4-3-6-10(11)14(17)18/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | WDBSQEZZYVQESD-UHFFFAOYSA-N |
| SMILES | C(CCCC(OC1=C(C=CC=C1)N(=O)=O)=O)(OCC)=O |