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

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

ID: Reference8863

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-(2-fluorophenyl)-1,2,3,4,5,6-hexahydro-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-287897

Formula: C22H19FN2O2S

Spectral Data

(1R,9S)-3-(2-Fluorophenyl)-11-(2-thienylcarbonyl)-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 2387
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 8/22/2019 10:32:35 AM
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Identificators

InChI InChI=1S/C22H19FN2O2S/c23-18-5-2-1-4-16(18)17-7-8-20(26)25-12-14-10-15(21(17)25)13-24(11-14)22(27)19-6-3-9-28-19/h1-9,14-15H,10-13H2/t14-,15+/m0/s1
InChI Key VSIABTQSOMCJTB-LSDHHAIUSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4F)C(=O)C5=CC=CS5
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-(2-fluorophenyl)-1,2,3,4,5,6-hexahydro-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-287897

In Other Databases

PubChem 9424513
ChemSpider 7707761