| SpectraBase Compound ID | 2eOijeQFfa |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-11(2)12(3)22-15(18)5-4-6-16(19)23-14-9-7-13(8-10-14)17(20)21/h7-12H,4-6H2,1-3H3 |
| InChIKey | KCPWFBTZCGGCBM-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGgD49r3jV2 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-11(2)12(3)22-15(18)5-4-6-16(19)23-14-9-7-13(8-10-14)17(20)21/h7-12H,4-6H2,1-3H3 |
| InChIKey | KCPWFBTZCGGCBM-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |