| SpectraBase Compound ID | CMySZCtfvdK |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-2-10-21-14(17)4-3-5-15(18)22-11-12-6-8-13(9-7-12)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | IAKCKYLMRPXEQU-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 | 4H0sGAoyKGQ |
|---|---|
| Name | Glutaric acid, 4-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/c1-2-10-21-14(17)4-3-5-15(18)22-11-12-6-8-13(9-7-12)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | IAKCKYLMRPXEQU-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCCC)=O |