| SpectraBase Compound ID | V4IUYdSAx2 |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-2-11-20-15(18)5-3-4-6-16(19)21-14-9-7-13(12-17)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | JNRZKGPTPIJHBU-UHFFFAOYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F4LZfrNhJ5d |
|---|---|
| Name | Adipic acid, 4-cyanophenyl propyl 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/c1-2-11-20-15(18)5-3-4-6-16(19)21-14-9-7-13(12-17)8-10-14/h7-10H,2-6,11H2,1H3 |
| InChIKey | JNRZKGPTPIJHBU-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCC)=O)OC1=CC=C(C=C1)C#N |