| SpectraBase Compound ID | EvMVpJf7tL0 |
|---|---|
| InChI | InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-13(21-2)12(9-11)16(19)20/h7-9H,3-6,10H2,1-2H3 |
| InChIKey | ACRNHEIDONDDKO-UHFFFAOYSA-N |
| Mol Weight | 325.32 g/mol |
| Molecular Formula | C15H19NO7 |
| Exact Mass | 325.116152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FYtnFq8FSw |
|---|---|
| Name | Glutaric acid, ethyl 3-nitro-4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.116151949 u |
| Formula | C15H19NO7 |
| InChI | InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-13(21-2)12(9-11)16(19)20/h7-9H,3-6,10H2,1-2H3 |
| InChIKey | ACRNHEIDONDDKO-UHFFFAOYSA-N |
| Molecular Weight | 325.317 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCC)=O |