| SpectraBase Compound ID | KiTSsNgjs1N |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-5-6-9-15-25-18(21)13-10-14-19(22)26-17-12-8-7-11-16(17)20(23)24/h7-8,11-12H,2-6,9-10,13-15H2,1H3 |
| InChIKey | GHCQTADLSKAMNZ-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 | 8DR7Sb4NaGu |
|---|---|
| Name | Glutaric acid, 2-nitrophenyl octyl 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/c1-2-3-4-5-6-9-15-25-18(21)13-10-14-19(22)26-17-12-8-7-11-16(17)20(23)24/h7-8,11-12H,2-6,9-10,13-15H2,1H3 |
| InChIKey | GHCQTADLSKAMNZ-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC=CC=C1N(=O)=O)=O)=O |