| SpectraBase Compound ID | 3EyyHEB9u2V |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-13(2)12-21-16(19)5-3-4-6-17(20)22-15-9-7-14(11-18)8-10-15/h7-10,13H,3-6,12H2,1-2H3 |
| InChIKey | XXYCFUYPIPPPNL-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2hlFbZMIaT |
|---|---|
| Name | Adipic acid, 4-cyanophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-13(2)12-21-16(19)5-3-4-6-17(20)22-15-9-7-14(11-18)8-10-15/h7-10,13H,3-6,12H2,1-2H3 |
| InChIKey | XXYCFUYPIPPPNL-UHFFFAOYSA-N |
| SMILES | CC(C)COC(CCCCC(=O)OC1=CC=C(C=C1)C#N)=O |