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1-(5-Methyl-1-(2-((3-(trifluoromethyl)phenyl)selanyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one
SpectraBase Compound ID Ch8EH2LfQXw
InChI InChI=1S/C18H14F3N3OSe/c1-11-17(12(2)25)22-23-24(11)15-8-3-4-9-16(15)26-14-7-5-6-13(10-14)18(19,20)21/h3-10H,1-2H3
InChIKey OKPNFKQQMHPFEK-UHFFFAOYSA-N
Mol Weight 424.3 g/mol
Molecular Formula C18H14F3N3OSe
Exact Mass 425.025419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15yTRaX2K5V
Name 1-(5-Methyl-1-(2-((3-(trifluoromethyl)phenyl)selanyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one
Appearance Yellow oil
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Formula C18H14F3N3OSe
InChI InChI=1S/C18H14F3N3OSe/c1-11-17(12(2)25)22-23-24(11)15-8-3-4-9-16(15)26-14-7-5-6-13(10-14)18(19,20)21/h3-10H,1-2H3
InChIKey OKPNFKQQMHPFEK-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.68
Molecular Weight 424.297 g/mol
Reported Formula C18H14F3N3OSe
SMILES c1cc(c(cc1)-[n]1nnc(c1C)C(C)=O)[Se]c1cccc(c1)C(F)(F)F
SPLASH splash10-0udl-3190100000-bc9a17952f3b06409ae3
Source of Spectrum BJO-13-SM5-3i
Wiley ID 1848345