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1-(2-fluoranyl-4-nitro-5-piperazin-1-yl-phenyl)azepane
SpectraBase Compound ID EOLjZTXLZJZ
InChI InChI=1S/C16H23FN4O2/c17-13-11-16(21(22)23)15(20-9-5-18-6-10-20)12-14(13)19-7-3-1-2-4-8-19/h11-12,18H,1-10H2
InChIKey NMUJONASFBFSLI-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C16H23FN4O2
Exact Mass 322.180504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dFD5zbohT0
Name 1-(2-fluoranyl-4-nitro-5-piperazin-1-yl-phenyl)azepane
Alternate Name(s) 1-(2-fluoro-4-nitro-5-piperazino-phenyl)azepane 1-[2-fluoro-4-nitro-5-(1-piperazinyl)phenyl]azepane 1-(2-fluoro-4-nitro-5-piperazin-1-ylphenyl)azepane
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Formula C16H23FN4O2
InChI InChI=1S/C16H23FN4O2/c17-13-11-16(21(22)23)15(20-9-5-18-6-10-20)12-14(13)19-7-3-1-2-4-8-19/h11-12,18H,1-10H2
InChIKey NMUJONASFBFSLI-UHFFFAOYSA-N
Molecular Weight 322.384 g/mol
SMILES N1CCN(CC1)c1c(N(=O)=O)cc(c(N2CCCCCC2)c1)F
SPLASH splash10-052f-9761000000-5c43921ba0ea235145ac
Wiley ID 1450691