| SpectraBase Compound ID | LC0NWVbj48q |
|---|---|
| InChI | InChI=1S/C15H10ClF4NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,21H,8H2 |
| InChIKey | VGNVFAXJHFXDAT-UHFFFAOYSA-N |
| Mol Weight | 331.7 g/mol |
| Molecular Formula | C15H10ClF4NO |
| Exact Mass | 331.038704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xoDlWfjABx |
|---|---|
| Name | Quazepam hy @P1097 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.038704297 u |
| Formula | C15H10ClF4NO |
| InChI | InChI=1S/C15H10ClF4NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,21H,8H2 |
| InChIKey | VGNVFAXJHFXDAT-UHFFFAOYSA-N |
| Molecular Weight | 331.698 g/mol |
| SMILES | C=1C=C(NCC(F)(F)F)C(C(C=2C(=CC=CC2)F)=O)=CC1Cl |