(1R,9R)-11-(Phenylsulfonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12866
Reference
(1R,9R)-11-(Phenylsulfonyl)-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-(Benzenesulfonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12866
Other Names: NAT11-288299
Formula: C24H21F3N2O4S
Spectral Data
(1R,9R)-11-(Phenylsulfonyl)-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 | 2161 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2023 12:38:17 PM |
Identificators
| InChI | InChI=1S/C24H21F3N2O4S/c25-24(26,27)33-19-8-6-17(7-9-19)21-10-11-22(30)29-14-16-12-18(23(21)29)15-28(13-16)34(31,32)20-4-2-1-3-5-20/h1-11,16,18H,12-15H2/t16-,18+/m0/s1 |
| InChI Key | VJKXXXQSXBEPRQ-FUHWJXTLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-288299 |