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1-(1-(2-((4-Chlorophenyl)selanyl)phenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one
SpectraBase Compound ID 3FnVosrE1A7
InChI InChI=1S/C17H14ClN3OSe/c1-11-17(12(2)22)19-20-21(11)15-5-3-4-6-16(15)23-14-9-7-13(18)8-10-14/h3-10H,1-2H3
InChIKey PTKIVAMJWMXLNJ-UHFFFAOYSA-N
Mol Weight 390.74 g/mol
Molecular Formula C17H14ClN3OSe
Exact Mass 390.999062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO4UQ1uy7Ib
Name 1-(1-(2-((4-Chlorophenyl)selanyl)phenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one
Appearance Yellow oil
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Formula C17H14ClN3OSe
InChI InChI=1S/C17H14ClN3OSe/c1-11-17(12(2)22)19-20-21(11)15-5-3-4-6-16(15)23-14-9-7-13(18)8-10-14/h3-10H,1-2H3
InChIKey PTKIVAMJWMXLNJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.68
Molecular Weight 390.744 g/mol
Reported Formula C17H14ClN3OSe
SMILES c1cc(c(cc1)-[n]1nnc(c1C)C(C)=O)[Se]c1ccc(cc1)Cl
SPLASH splash10-0udl-4492000000-86c42188ae6661021b6a
Source of Spectrum BJO-13-SM5-3h
Wiley ID 1848344