| SpectraBase Compound ID | GCJfjOQUFQW |
|---|---|
| InChI | InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-12(16(19)20)13(9-11)21-2/h7-9H,3-6,10H2,1-2H3 |
| InChIKey | RPSPBPZWTNEDPN-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 | L1ZyEWdOVBW |
|---|---|
| Name | Glutaric acid, 3-methoxy-4-nitrobenzyl ethyl 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)23-10-11-7-8-12(16(19)20)13(9-11)21-2/h7-9H,3-6,10H2,1-2H3 |
| InChIKey | RPSPBPZWTNEDPN-UHFFFAOYSA-N |
| Molecular Weight | 325.317 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)OC)N(=O)=O)(=O)CCCC(OCC)=O |