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

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Systematic / IUPAC Name: (1R,9S)-3-Cyclohexyl-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8840

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-cyclohexyl-3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-288744

Formula: C24H27FN2O2

Spectral Data

(1R,9S)-3-Cyclohexyl-11-(4-fluorobenzoyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 615
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:55:40 AM
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Identificators

InChI InChI=1S/C24H27FN2O2/c25-20-8-6-18(7-9-20)24(29)26-13-16-12-19(15-26)23-21(17-4-2-1-3-5-17)10-11-22(28)27(23)14-16/h6-11,16-17,19H,1-5,12-15H2/t16-,19+/m0/s1
InChI Key RNTUKDMFWILJAG-QFBILLFUSA-N
Canonical SMILES C1CCC(CC1)C2=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)F)CN3C(=O)C=C2
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-cyclohexyl-3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-288744

In Other Databases

PubChem 7682629
ChemSpider 5995139