| SpectraBase Compound ID | AqWe8n8PAE7 |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-2-3-6-12-23-16(19)10-7-11-17(20)24-13-14-8-4-5-9-15(14)18(21)22/h4-5,8-9H,2-3,6-7,10-13H2,1H3 |
| InChIKey | SUXCXJMJPVUXQI-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AzA37AcDsK |
|---|---|
| Name | Glutaric acid, 2-nitrobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-2-3-6-12-23-16(19)10-7-11-17(20)24-13-14-8-4-5-9-15(14)18(21)22/h4-5,8-9H,2-3,6-7,10-13H2,1H3 |
| InChIKey | SUXCXJMJPVUXQI-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OCC=1C=CC=CC1N(=O)=O)(=O)CCCC(OCCCCC)=O |