Systematic / IUPAC Name: (1R,9S)-11-(Thiophene-2-carbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12938
Other Names: NAT11-288257
Formula: C23H19F3N2O3S
(1R,9S)-11-(2-Thienylcarbonyl)-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 975 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/14/2023 12:47:58 PM |
InChI | InChI=1S/C23H19F3N2O3S/c24-23(25,26)31-17-5-3-15(4-6-17)18-7-8-20(29)28-12-14-10-16(21(18)28)13-27(11-14)22(30)19-2-1-9-32-19/h1-9,14,16H,10-13H2/t14-,16+/m0/s1 |
InChI Key | ZKPCAMUSXKAJTR-GOEBONIOSA-N |
Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C5=CC=CS5 |
CAS | |
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Other Names | NAT11-288257 |