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6-Bromo-1-cyclohexyl-3-(fluorocarbonyl)-2-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide
SpectraBase Compound ID EJqSCd4pNlQ
InChI InChI=1S/C18H16BrFN2O2/c19-14-10-21-15(16(20)23)18(24)22(11-6-2-1-3-7-11)17(21)13-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2
InChIKey PRPURTRRJCCOFF-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C18H16BrFN2O2
Exact Mass 390.037919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpplhPWJhQW
Name 6-Bromo-1-cyclohexyl-3-(fluorocarbonyl)-2-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide
Alternate Name(s) (E)-(6-bromo-1-cyclohexyl-2-oxo-3-imidazo[2,1-a]isoquinolin-4-iumylidene)-fluoromethanolate (E)-(6-bromo-1-cyclohexyl-2-oxoimidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-fluoromethanolate (E)-(6-bromo-1-cyclohexyl-2-oxo-imidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-fluoro-methanolate (E)-(6-bromanyl-1-cyclohexyl-2-oxidanylidene-imidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-fluoranyl-methanolate
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Formula C18H16BrFN2O2
InChI InChI=1S/C18H16BrFN2O2/c19-14-10-21-15(16(20)23)18(24)22(11-6-2-1-3-7-11)17(21)13-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2
InChIKey PRPURTRRJCCOFF-UHFFFAOYSA-N
Molecular Weight 391.240 g/mol
SMILES [C-]1([n+]2c(N(C1=O)C1CCCCC1)c1ccccc1c(c2)Br)C(=O)F
SPLASH splash10-000f-0093000000-bb2b98b2cc0354b4deb8
Source of Spectrum U1-2009-622-5h
Wiley ID 1662563