| SpectraBase Compound ID | AW5xDFpLp0 |
|---|---|
| InChI | InChI=1S/C18H14ClNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22) |
| InChIKey | CQQUWUNWQPWYKK-UHFFFAOYSA-N |
| Mol Weight | 311.77 g/mol |
| Molecular Formula | C18H14ClNO2 |
| Exact Mass | 311.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M6W0t3fZ2M |
|---|---|
| Name | 4'-Chloro-6,8-dimethylcinchophen |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.071306393 u |
| Formula | C18H14ClNO2 |
| InChI | InChI=1S/C18H14ClNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22) |
| InChIKey | CQQUWUNWQPWYKK-UHFFFAOYSA-N |
| Molecular Weight | 311.768 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C=1C=C(C(O)=O)C=2C(=C(C)C=C(C)C2)N1 |