Systematic / IUPAC Name: (1R,9S)-11-(Cyclohexanecarbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12686
Other Names: NAT11-288260
Formula: C25H27F3N2O3
(1R,9S)-11-(Cyclohexylcarbonyl)-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 | 1370 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 7/31/2023 10:51:57 AM |
InChI | InChI=1S/C25H27F3N2O3/c26-25(27,28)33-20-8-6-17(7-9-20)21-10-11-22(31)30-14-16-12-19(23(21)30)15-29(13-16)24(32)18-4-2-1-3-5-18/h6-11,16,18-19H,1-5,12-15H2/t16-,19+/m0/s1 |
InChI Key | GNUCIZOHACSKCF-QFBILLFUSA-N |
Canonical SMILES | C1CCC(CC1)C(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C5=CC=C(C=C5)OC(F)(F)F |
CAS | |
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Other Names | NAT11-288260 |