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2,4-Bis(perfluoroethyl)-9H-pyrimido[4,5-b]indole
SpectraBase Compound ID JlWOWQnWx78
InChI InChI=1S/C14H5F10N3/c15-11(16,13(19,20)21)8-7-5-3-1-2-4-6(5)25-9(7)27-10(26-8)12(17,18)14(22,23)24/h1-4H,(H,25,26,27)
InChIKey NHVIQLXONAUOOC-UHFFFAOYSA-N
Mol Weight 405.2 g/mol
Molecular Formula C14H5F10N3
Exact Mass 405.032379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91ZzaVUgGnQ
Name 2,4-Bis(perfluoroethyl)-9H-pyrimido[4,5-b]indole
Comments Less than 3 mono-isotopic peaks
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Formula C14H5F10N3
InChI InChI=1S/C14H5F10N3/c15-11(16,13(19,20)21)8-7-5-3-1-2-4-6(5)25-9(7)27-10(26-8)12(17,18)14(22,23)24/h1-4H,(H,25,26,27)
InChIKey NHVIQLXONAUOOC-UHFFFAOYSA-N
Molecular Weight 405.199 g/mol
SMILES [nH]1c2c(c3c1nc(nc3C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)cccc2
SPLASH splash10-0a4i-0000900000-824930bccd674d151906
Source of Spectrum F4-41-3972-14t
Wiley ID 1673178