(1R,9R)-11-[(4-Fluorophenyl)sulfonyl]-5-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9R)-11-(4-Fluorophenyl)sulfonyl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10103

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[(4-fluorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-9-(2-thienyl)-, (1R,5R)-;
NAT11-284095

Formula: C21H19FN2O3S2

Spectral Data

(1R,9R)-11-[(4-Fluorophenyl)sulfonyl]-5-(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 1770
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 11:22:21 AM
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Identificators

InChI InChI=1S/C21H19FN2O3S2/c22-16-3-5-17(6-4-16)29(26,27)23-11-14-10-15(13-23)19-8-7-18(20-2-1-9-28-20)21(25)24(19)12-14/h1-9,14-15H,10-13H2/t14-,15+/m0/s1
InChI Key SJNOCHGNHHDHJI-LSDHHAIUSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CS4)S(=O)(=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-fluorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-9-(2-thienyl)-, (1R,5R)-;
NAT11-284095

In Other Databases

ChemSpider 10059518
PubChem 11885190