| SpectraBase Compound ID | Lezphavs7Yh |
|---|---|
| InChI | InChI=1S/C22H23NO4/c1-2-3-4-5-6-14-26-21(24)18-8-7-9-19(15-18)22(25)27-20-12-10-17(16-23)11-13-20/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | CEFBIYYQBAUEHP-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 | 6ROykNGyYEr |
|---|---|
| Name | Isophthalic 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/c1-2-3-4-5-6-14-26-21(24)18-8-7-9-19(15-18)22(25)27-20-12-10-17(16-23)11-13-20/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | CEFBIYYQBAUEHP-UHFFFAOYSA-N |
| Molecular Weight | 365.429 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O)C#N |