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

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

ID: Reference11025

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-11-(2-thienyl)-, (1R,5S)-;
NAT11-287724

Formula: C22H19FN2O2S

Spectral Data

(1R,9S)-11-(4-Fluorobenzoyl)-3-(2-thienyl)-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 709
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/12/2021 11:44:58 AM
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Identificators

InChI InChI=1S/C22H19FN2O2S/c23-17-5-3-15(4-6-17)22(27)24-11-14-10-16(13-24)21-18(19-2-1-9-28-19)7-8-20(26)25(21)12-14/h1-9,14,16H,10-13H2/t14-,16+/m0/s1
InChI Key PMUWLRIWONPNCQ-GOEBONIOSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CS4)C(=O)C5=CC=C(C=C5)F
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-11-(2-thienyl)-, (1R,5S)-;
NAT11-287724

In Other Databases

PubChem 7685227
ChemSpider 5997616