(1R,9S)-11-Isonicotinoyl-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13112
Reference
(1R,9S)-11-Isonicotinoyl-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(Pyridine-4-carbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13112
Other Names: NAT11-288273
Formula: C24H20F3N3O3
Spectral Data
(1R,9S)-11-Isonicotinoyl-3-[4-(trifluoromethoxy)phenyl]-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 | 620 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/22/2024 11:12:33 AM |
Identificators
| InChI | InChI=1S/C24H20F3N3O3/c25-24(26,27)33-19-3-1-16(2-4-19)20-5-6-21(31)30-13-15-11-18(22(20)30)14-29(12-15)23(32)17-7-9-28-10-8-17/h1-10,15,18H,11-14H2/t15-,18+/m0/s1 |
| InChI Key | KWJDGQLDPIGLCF-MAUKXSAKSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C5=CC=NC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-288273 |