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5-Heptafluoropropyl-7-butyl-2,3-dihydro-1H-[1,4]diazepine
SpectraBase Compound ID LI6jwJGs8Yt
InChI InChI=1S/C12H15F7N2/c1-2-3-4-8-7-9(21-6-5-20-8)10(13,14)11(15,16)12(17,18)19/h7,20H,2-6H2,1H3
InChIKey KMWHVDDEAUOOQH-UHFFFAOYSA-N
Mol Weight 320.25 g/mol
Molecular Formula C12H15F7N2
Exact Mass 320.112346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V7y7nAiZXS
Name 5-Heptafluoropropyl-7-butyl-2,3-dihydro-1H-[1,4]diazepine
Alternate Name(s) 7-Butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydro-1H-1,4-diazepine
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Formula C12H15F7N2
InChI InChI=1S/C12H15F7N2/c1-2-3-4-8-7-9(21-6-5-20-8)10(13,14)11(15,16)12(17,18)19/h7,20H,2-6H2,1H3
InChIKey KMWHVDDEAUOOQH-UHFFFAOYSA-N
Molecular Weight 320.255 g/mol
SMILES N1CCN=C(C=C1CCCC)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-004l-0093000000-b01a0290acf80e7ee4a4
Source of Spectrum C5-2003-2309-2
Wiley ID 1616093