(1R,9R)-11-[(4-Fluorophenyl)sulfonyl]-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12937
Reference
(1R,9R)-11-[(4-Fluorophenyl)sulfonyl]-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-11-(4-Fluorophenyl)sulfonyl-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12937
Other Names: NAT11-288312
Formula: C24H20F4N2O4S
Spectral Data
(1R,9R)-11-[(4-Fluorophenyl)sulfonyl]-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 | 1755 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/14/2023 12:47:17 PM |
Identificators
| InChI | InChI=1S/C24H20F4N2O4S/c25-18-3-7-20(8-4-18)35(32,33)29-12-15-11-17(14-29)23-21(9-10-22(31)30(23)13-15)16-1-5-19(6-2-16)34-24(26,27)28/h1-10,15,17H,11-14H2/t15-,17+/m0/s1 |
| InChI Key | IKUZADASCWRDQA-DOTOQJQBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)F |
| CAS | |
| Splash | |
| Other Names | NAT11-288312 |