| SpectraBase Compound ID | ItEbZMuJ78f |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-2-9-21-14(17)7-4-8-15(18)22-11-12-5-3-6-13(10-12)16(19)20/h3,5-6,10H,2,4,7-9,11H2,1H3 |
| InChIKey | NHJIQLHRSQMXCE-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALSwNTiJR3d |
|---|---|
| Name | Glutaric acid, 3-nitrobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-2-9-21-14(17)7-4-8-15(18)22-11-12-5-3-6-13(10-12)16(19)20/h3,5-6,10H,2,4,7-9,11H2,1H3 |
| InChIKey | NHJIQLHRSQMXCE-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCC)=O |