(1R,9S)-11-(4-Fluorobenzyl)-3-(2-fluorophenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11034
Reference
(1R,9S)-11-(4-Fluorobenzyl)-3-(2-fluorophenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-3-(2-Fluorophenyl)-11-[(4-fluorophenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11034
Other Names: NAT11-289699
Formula: C24H22F2N2O
Spectral Data
(1R,9S)-11-(4-Fluorobenzyl)-3-(2-fluorophenyl)-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 | 1758 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 10:35:53 AM |
Identificators
| InChI | InChI=1S/C24H22F2N2O/c25-19-7-5-16(6-8-19)12-27-13-17-11-18(15-27)24-21(9-10-23(29)28(24)14-17)20-3-1-2-4-22(20)26/h1-10,17-18H,11-15H2/t17-,18+/m0/s1 |
| InChI Key | JNGKQOAORCQCPA-ZWKOTPCHSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4F)CC5=CC=C(C=C5)F |
| CAS | |
| Splash | |
| Other Names | NAT11-289699 |