| SpectraBase Compound ID | 1kwnv5WvdMn |
|---|---|
| InChI | InChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H |
| InChIKey | NBNTWDUNCHRWMT-UHFFFAOYSA-N |
| Mol Weight | 330.21 g/mol |
| Molecular Formula | C18H13Cl2NO |
| Exact Mass | 329.037419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWtTMTgWlSq |
|---|---|
| Name | Parinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.037419442 u |
| Formula | C18H13Cl2NO |
| InChI | InChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H |
| InChIKey | NBNTWDUNCHRWMT-UHFFFAOYSA-N |
| Molecular Weight | 330.214 g/mol |
| SMILES | OC(C1=CN=CC=C1)(C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl |