(1R,9S)-11-(2-Thienylcarbonyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12259
Reference
(1R,9S)-11-(2-Thienylcarbonyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(Thiophene-2-carbonyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12259
Other Names: NAT11-284580
Formula: C23H19F3N2O3S
Spectral Data
(1R,9S)-11-(2-Thienylcarbonyl)-5-[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 | 1817 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:31:55 AM |
Identificators
| InChI | InChI=1S/C23H19F3N2O3S/c24-23(25,26)31-17-5-3-15(4-6-17)18-7-8-19-16-10-14(12-28(19)21(18)29)11-27(13-16)22(30)20-2-1-9-32-20/h1-9,14,16H,10-13H2/t14-,16+/m0/s1 |
| InChI Key | GPZMYTSQUNHRES-GOEBONIOSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT11-284580 |