![11H-Pyrido[4,3-c][1,2]benzodiazepin-11-one, 1,3,4-trifluoro-7,9-dimethyl-](/api/spectrum/8i9wIubn1Ia/structure.png?h=300&w=458 "11H-Pyrido[4,3-c][1,2]benzodiazepin-11-one, 1,3,4-trifluoro-7,9-dimethyl-")
| SpectraBase Compound ID | AXpArLxMeU7 |
|---|---|
| InChI | InChI=1S/C14H8F3N3O/c1-5-3-6(2)10-7(4-5)12(21)8-11(20-19-10)9(15)14(17)18-13(8)16/h3-4H,1-2H3 |
| InChIKey | ZRLAZJALGAVKOX-UHFFFAOYSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C14H8F3N3O |
| Exact Mass | 291.061946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8i9wIubn1Ia |
|---|---|
| Name | 11H-Pyrido[4,3-C][1,2]benzodiazepin-11-one, 1,3,4-trifluoro-7,9-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.061946378 u |
| Formula | C14H8F3N3O |
| InChI | InChI=1S/C14H8F3N3O/c1-5-3-6(2)10-7(4-5)12(21)8-11(20-19-10)9(15)14(17)18-13(8)16/h3-4H,1-2H3 |
| InChIKey | ZRLAZJALGAVKOX-UHFFFAOYSA-N |
| Molecular Weight | 291.233 g/mol |
| SMILES | C=12C(C(C3=CC(C)=CC(=C3N=N2)C)=O)=C(F)N=C(C1F)F |