| SpectraBase Compound ID | ErKS0YxCvTo |
|---|---|
| InChI | InChI=1S/C16H14ClN3/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8H,1-4H2,(H2,19,20) |
| InChIKey | ACWNROPVQQXFAO-UHFFFAOYSA-N |
| Mol Weight | 283.76 g/mol |
| Molecular Formula | C16H14ClN3 |
| Exact Mass | 283.087625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbPRxqsoS15 |
|---|---|
| Name | 2-Amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.087625163 u |
| Formula | C16H14ClN3 |
| InChI | InChI=1S/C16H14ClN3/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8H,1-4H2,(H2,19,20) |
| InChIKey | ACWNROPVQQXFAO-UHFFFAOYSA-N |
| SMILES | C(#N)C1=C(C2=C(N=C1N)CCCC2)C1=CC=C(C=C1)Cl |