| SpectraBase Compound ID | 1Eq1ceID7Ry |
|---|---|
| InChI | InChI=1S/C19H16ClNO2/c1-12(2)23-19(22)16-11-18(13-7-9-14(20)10-8-13)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3 |
| InChIKey | VQFNGEZVFCPUHL-UHFFFAOYSA-N |
| Mol Weight | 325.8 g/mol |
| Molecular Formula | C19H16ClNO2 |
| Exact Mass | 325.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D21Dhn79npy |
|---|---|
| Name | Isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.086956457 u |
| Formula | C19H16ClNO2 |
| InChI | InChI=1S/C19H16ClNO2/c1-12(2)23-19(22)16-11-18(13-7-9-14(20)10-8-13)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3 |
| InChIKey | VQFNGEZVFCPUHL-UHFFFAOYSA-N |
| Molecular Weight | 325.795 g/mol |
| SMILES | C1(C(OC(C)C)=O)=CC(C2=CC=C(C=C2)Cl)=NC=2C1=CC=CC2 |