| SpectraBase Compound ID | HAQlx5P4iMw |
|---|---|
| InChI | InChI=1S/C22H23NO4/c1-2-3-4-5-8-15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(16-23)12-14-18/h6-7,9-14H,2-5,8,15H2,1H3 |
| InChIKey | CFYXAPZHXXMOAV-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C22H23NO4 |
| Exact Mass | 365.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9V72CzSkga |
|---|---|
| Name | Phthalic acid, 4-cyanophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.162708221 u |
| Formula | C22H23NO4 |
| InChI | InChI=1S/C22H23NO4/c1-2-3-4-5-8-15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(16-23)12-14-18/h6-7,9-14H,2-5,8,15H2,1H3 |
| InChIKey | CFYXAPZHXXMOAV-UHFFFAOYSA-N |
| Molecular Weight | 365.429 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(OC1=CC=C(C=C1)C#N)=O)=O)CCCCCC |