| SpectraBase Compound ID | 83QyPgeriHs |
|---|---|
| InChI | InChI=1S/C21H13NO4/c22-14-15-10-12-17(13-11-15)26-21(24)19-9-5-4-8-18(19)20(23)25-16-6-2-1-3-7-16/h1-13H |
| InChIKey | XMNYUMCUEQEPLE-UHFFFAOYSA-N |
| Mol Weight | 343.34 g/mol |
| Molecular Formula | C21H13NO4 |
| Exact Mass | 343.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98evd7BtqAm |
|---|---|
| Name | Phthalic acid, 4-cyanophenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.084457899 u |
| Formula | C21H13NO4 |
| InChI | InChI=1S/C21H13NO4/c22-14-15-10-12-17(13-11-15)26-21(24)19-9-5-4-8-18(19)20(23)25-16-6-2-1-3-7-16/h1-13H |
| InChIKey | XMNYUMCUEQEPLE-UHFFFAOYSA-N |
| Molecular Weight | 343.338 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=C(C#N)C=C1)=O)C(OC1=CC=CC=C1)=O |