| SpectraBase Compound ID | 6VQ60qnE5eT |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-5-13-25-18(21)10-7-11-19(22)26-14-12-16-8-6-9-17(15-16)20(23)24/h6,8-9,15H,2-5,7,10-14H2,1H3 |
| InChIKey | PBCDIXQDVUUTLW-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 | IGEAkePIxAm |
|---|---|
| Name | Glutaric acid, hexyl 3-nitrophenethyl 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/c1-2-3-4-5-13-25-18(21)10-7-11-19(22)26-14-12-16-8-6-9-17(15-16)20(23)24/h6,8-9,15H,2-5,7,10-14H2,1H3 |
| InChIKey | PBCDIXQDVUUTLW-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCC)=O |