| SpectraBase Compound ID | K9iGveI6kqn |
|---|---|
| InChI | InChI=1S/C22H15NO4/c1-15-6-2-5-9-20(15)27-22(25)19-8-4-3-7-18(19)21(24)26-17-12-10-16(14-23)11-13-17/h2-13H,1H3 |
| InChIKey | AOEXRRDYWJWPDO-UHFFFAOYSA-N |
| Mol Weight | 357.37 g/mol |
| Molecular Formula | C22H15NO4 |
| Exact Mass | 357.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lsx3t53Bqb3 |
|---|---|
| Name | Phthalic acid, 4-cyanophenyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.100107963 u |
| Formula | C22H15NO4 |
| InChI | InChI=1S/C22H15NO4/c1-15-6-2-5-9-20(15)27-22(25)19-8-4-3-7-18(19)21(24)26-17-12-10-16(14-23)11-13-17/h2-13H,1H3 |
| InChIKey | AOEXRRDYWJWPDO-UHFFFAOYSA-N |
| Molecular Weight | 357.365 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC1=CC=C(C#N)C=C1)=O |