| SpectraBase Compound ID | JON8N05itiS |
|---|---|
| InChI | InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) |
| InChIKey | IHHSSHCBRVYGJX-UHFFFAOYSA-N |
| Mol Weight | 258.71 g/mol |
| Molecular Formula | C14H11ClN2O |
| Exact Mass | 258.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmALOzo6l2K |
|---|---|
| Name | Mepacrine-artifact 2 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.055990681 u |
| Formula | C14H11ClN2O |
| InChI | InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) |
| InChIKey | IHHSSHCBRVYGJX-UHFFFAOYSA-N |
| Molecular Weight | 258.708 g/mol |
| SMILES | Nc1c2ccc(Cl)cc2nc2c1cc(cc2)OC |