(1R,9S)-5-(4-Chlorophenyl)-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13189
Reference
(1R,9S)-5-(4-Chlorophenyl)-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-(4-Chlorophenyl)-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13189
Other Names: NAT11-283987
Formula: C24H20ClFN2O2
Spectral Data
(1R,9S)-5-(4-Chlorophenyl)-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 315 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2024 1:53:11 PM |
Identificators
| InChI | InChI=1S/C24H20ClFN2O2/c25-19-5-1-16(2-6-19)21-9-10-22-18-11-15(13-28(22)24(21)30)12-27(14-18)23(29)17-3-7-20(26)8-4-17/h1-10,15,18H,11-14H2/t15-,18+/m0/s1 |
| InChI Key | ACDPIOPOGYZUHI-MAUKXSAKSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)F |
| CAS | |
| Splash | |
| Other Names | NAT11-283987 |