| SpectraBase Compound ID | 5Vd4C1aelpT |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-5-8-14-25-18(21)12-9-13-19(22)26-15-16-10-6-7-11-17(16)20(23)24/h6-7,10-11H,2-5,8-9,12-15H2,1H3 |
| InChIKey | KORKSIMIFCMQGW-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C19H27NO6 |
| Exact Mass | 365.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeAOv3fWkNc |
|---|---|
| Name | Glutaric acid, heptyl 2-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.183837587 u |
| Formula | C19H27NO6 |
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-5-8-14-25-18(21)12-9-13-19(22)26-15-16-10-6-7-11-17(16)20(23)24/h6-7,10-11H,2-5,8-9,12-15H2,1H3 |
| InChIKey | KORKSIMIFCMQGW-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | C(OCC=1C=CC=CC1N(=O)=O)(=O)CCCC(OCCCCCCC)=O |