| SpectraBase Compound ID | 1VePL30bnlI |
|---|---|
| InChI | InChI=1S/C16H14ClNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2 |
| InChIKey | KOMIWKBMNBXJQN-UHFFFAOYSA-N |
| Mol Weight | 271.75 g/mol |
| Molecular Formula | C16H14ClNO |
| Exact Mass | 271.076392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rcLs7K1qqe |
|---|---|
| Name | Methanone, (1,2,3,4-tetrahydro-2-isoquinolinyl)(2-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.076391774 u |
| Formula | C16H14ClNO |
| InChI | InChI=1S/C16H14ClNO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2 |
| InChIKey | KOMIWKBMNBXJQN-UHFFFAOYSA-N |
| Molecular Weight | 271.747 g/mol |
| SMILES | C1=CC=CC(=C1C(N1CCC2=CC=CC=C2C1)=O)Cl |