| SpectraBase Compound ID | FUONktKIb7X |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-12(2)13(3)21-16(19)5-4-6-17(20)22-15-9-7-14(11-18)8-10-15/h7-10,12-13H,4-6H2,1-3H3 |
| InChIKey | MLSLUPJBJJYKSN-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 | CUmuNLJ5iIH |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl 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/c1-12(2)13(3)21-16(19)5-4-6-17(20)22-15-9-7-14(11-18)8-10-15/h7-10,12-13H,4-6H2,1-3H3 |
| InChIKey | MLSLUPJBJJYKSN-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=CC=C(C#N)C=C1)=O |