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

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

ID: Reference8848

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-cyclohexyl-1,2,3,4,5,6-hexahydro-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-285109

Formula: C20H30N2O3S

Spectral Data

(1R,9R)-5-Cyclohexyl-11-(propylsulfonyl)-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 850
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/19/2019 6:56:46 AM
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Identificators

InChI InChI=1S/C20H30N2O3S/c1-2-10-26(24,25)21-12-15-11-17(14-21)19-9-8-18(20(23)22(19)13-15)16-6-4-3-5-7-16/h8-9,15-17H,2-7,10-14H2,1H3/t15-,17+/m0/s1
InChI Key QWUTUNXLHRHEEY-DOTOQJQBSA-N
Canonical SMILES CCCS(=O)(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4CCCCC4
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-cyclohexyl-1,2,3,4,5,6-hexahydro-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-285109

In Other Databases

ChemSpider 7706530
PubChem 9421722