(1R,9S)-11-(Cyclohexylcarbonyl)-3-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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

Spectral Data

(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.

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Available MS Data

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
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Identificators

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
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Other Names NAT11-288260

In Other Databases

PubChem 7144180
ChemSpider 5484919