| SpectraBase Compound ID | CGo888kxAzq |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-3-4-5-6-13-25-18(21)11-8-12-19(22)26-14-16-9-7-10-17(15(16)2)20(23)24/h7,9-10H,3-6,8,11-14H2,1-2H3 |
| InChIKey | OMPHZQIKDHYRKS-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 | INzn9dLDXXh |
|---|---|
| Name | Glutaric acid, hexyl 2-methyl-3-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/c1-3-4-5-6-13-25-18(21)11-8-12-19(22)26-14-16-9-7-10-17(15(16)2)20(23)24/h7,9-10H,3-6,8,11-14H2,1-2H3 |
| InChIKey | OMPHZQIKDHYRKS-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | C(COC(=O)CCCC(OCC1=CC=CC(=C1C)N(=O)=O)=O)CCCC |