| SpectraBase Compound ID | 12c222gmy2R |
|---|---|
| InChI | InChI=1S/C21H13ClN2O2/c22-16-9-5-15(6-10-16)21(25)26-17-11-7-14(8-12-17)20-13-23-18-3-1-2-4-19(18)24-20/h1-13H |
| InChIKey | QATQAOWGXBVNNB-UHFFFAOYSA-N |
| Mol Weight | 360.8 g/mol |
| Molecular Formula | C21H13ClN2O2 |
| Exact Mass | 360.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A71NL6PXDbe |
|---|---|
| Name | 4-(2-Quinoxalinyl)phenyl 4-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.066555365 u |
| Formula | C21H13ClN2O2 |
| InChI | InChI=1S/C21H13ClN2O2/c22-16-9-5-15(6-10-16)21(25)26-17-11-7-14(8-12-17)20-13-23-18-3-1-2-4-19(18)24-20/h1-13H |
| InChIKey | QATQAOWGXBVNNB-UHFFFAOYSA-N |
| Molecular Weight | 360.800 g/mol |
| SMILES | C=1C=CC=2N=C(C=NC2C1)C=1C=CC(OC(C=2C=CC(=CC2)Cl)=O)=CC1 |