| SpectraBase Compound ID | zB2zjlXlT5 |
|---|---|
| InChI | InChI=1S/C14H17NO6/c1-2-20-13(16)7-4-8-14(17)21-10-11-5-3-6-12(9-11)15(18)19/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | UDJULJIVQFXWKC-UHFFFAOYSA-N |
| Mol Weight | 295.29 g/mol |
| Molecular Formula | C14H17NO6 |
| Exact Mass | 295.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TgwLLz8Vob |
|---|---|
| Name | Glutaric acid, ethyl 3-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.105587265 u |
| Formula | C14H17NO6 |
| InChI | InChI=1S/C14H17NO6/c1-2-20-13(16)7-4-8-14(17)21-10-11-5-3-6-12(9-11)15(18)19/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | UDJULJIVQFXWKC-UHFFFAOYSA-N |
| Molecular Weight | 295.291 g/mol |
| SMILES | C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCC)=O |