| SpectraBase Compound ID | L3vx8qTynza |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-14-9-7-13(12-17)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | YARCBKWABQXNIG-UHFFFAOYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APUx4DPUvIa |
|---|---|
| Name | Glutaric acid, butyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.131408092 u |
| Formula | C16H19NO4 |
| InChI | InChI=1S/C16H19NO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-14-9-7-13(12-17)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | YARCBKWABQXNIG-UHFFFAOYSA-N |
| SMILES | CCCCOC(CCCC(OC1=CC=C(C=C1)C#N)=O)=O |