| SpectraBase Compound ID | 4s2TVQCCCIR |
|---|---|
| InChI | InChI=1S/C16H15ClN2O/c17-14-6-3-7-15(10-14)18-16(20)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20) |
| InChIKey | JGPNTZICCWADOL-UHFFFAOYSA-N |
| Mol Weight | 286.76 g/mol |
| Molecular Formula | C16H15ClN2O |
| Exact Mass | 286.087291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hw5xl3lWQSZ |
|---|---|
| Name | Isoquinoline-2-carboxamide, 1,2,3,4-tetrahydro-N-(3-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.087290810 u |
| Formula | C16H15ClN2O |
| InChI | InChI=1S/C16H15ClN2O/c17-14-6-3-7-15(10-14)18-16(20)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20) |
| InChIKey | JGPNTZICCWADOL-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1CCN(C2)C(NC1=CC(=CC=C1)Cl)=O |