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Methanone, (1-azepanyl)(2-chloro-4,5-difluorophenyl)-
SpectraBase Compound ID Ao3sIHJR4c5
InChI InChI=1S/C13H14ClF2NO/c14-10-8-12(16)11(15)7-9(10)13(18)17-5-3-1-2-4-6-17/h7-8H,1-6H2
InChIKey PXAKYMNUEQDHKP-UHFFFAOYSA-N
Mol Weight 273.71 g/mol
Molecular Formula C13H14ClF2NO
Exact Mass 273.073198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 727oDn27A6d
Name Methanone, (1-azepanyl)(2-chloro-4,5-difluorophenyl)-
Alternate Name(s) 1-(2-Chloro-4,5-difluorobenzoyl)azepane 1-Azepanyl-(2-chloro-4,5-difluorophenyl)methanone azepan-1-yl-(2-chloro-4,5-difluoro-phenyl)methanone azepan-1-yl-[2-chloranyl-4,5-bis(fluoranyl)phenyl]methanone
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Formula C13H14ClF2NO
InChI InChI=1S/C13H14ClF2NO/c14-10-8-12(16)11(15)7-9(10)13(18)17-5-3-1-2-4-6-17/h7-8H,1-6H2
InChIKey PXAKYMNUEQDHKP-UHFFFAOYSA-N
Molecular Weight 273.711 g/mol
SMILES c1(C(N2CCCCCC2)=O)c(cc(c(c1)F)F)Cl
SPLASH splash10-004l-9840000000-e84a2ce5684455efbf35
Wiley ID 1457383