| SpectraBase Compound ID | 9RqMNv1D6n4 |
|---|---|
| InChI | InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-10-18-28-21(24)12-11-13-22(25)29-20-16-14-19(15-17-20)23(26)27/h14-17H,2-13,18H2,1H3 |
| InChIKey | NUEWCEBFZQCQET-UHFFFAOYSA-N |
| Mol Weight | 407.5 g/mol |
| Molecular Formula | C22H33NO6 |
| Exact Mass | 407.230788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiVrVgC4h7f |
|---|---|
| Name | Glutaric acid, 4-nitrophenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.230787781 u |
| Formula | C22H33NO6 |
| InChI | InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-10-18-28-21(24)12-11-13-22(25)29-20-16-14-19(15-17-20)23(26)27/h14-17H,2-13,18H2,1H3 |
| InChIKey | NUEWCEBFZQCQET-UHFFFAOYSA-N |
| Molecular Weight | 407.507 g/mol |
| SMILES | CCCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1)N(=O)=O)=O)=O |