| SpectraBase Compound ID | ECZtJ6mOkDF |
|---|---|
| InChI | InChI=1S/C20H13NO4/c21-13-14-1-5-16(6-2-14)24-18-9-11-19(12-10-18)25-17-7-3-15(4-8-17)20(22)23/h1-12H,(H,22,23) |
| InChIKey | VESIXZPLDRQSMW-UHFFFAOYSA-N |
| Mol Weight | 331.33 g/mol |
| Molecular Formula | C20H13NO4 |
| Exact Mass | 331.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJ0BYx1UUdb |
|---|---|
| Name | Benzoic acid, 4-(4-cyanophenoxy)phenoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.084457899 u |
| Formula | C20H13NO4 |
| InChI | InChI=1S/C20H13NO4/c21-13-14-1-5-16(6-2-14)24-18-9-11-19(12-10-18)25-17-7-3-15(4-8-17)20(22)23/h1-12H,(H,22,23) |
| InChIKey | VESIXZPLDRQSMW-UHFFFAOYSA-N |
| Molecular Weight | 331.327 g/mol |
| SMILES | C1=CC(=CC=C1OC1=CC=C(C(=O)O)C=C1)OC1=CC=C(C#N)C=C1 |