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1-(5-Methyl-1-(4-(phenylselanyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one
SpectraBase Compound ID 2rpJSbq5UJt
InChI InChI=1S/C17H15N3OSe/c1-12-17(13(2)21)18-19-20(12)14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKey XGAAZYPYZRXBQI-UHFFFAOYSA-N
Mol Weight 356.3 g/mol
Molecular Formula C17H15N3OSe
Exact Mass 357.038034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBWFyQHH6pX
Name 1-(5-Methyl-1-(4-(phenylselanyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one
Appearance Yellow oil
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Formula C17H15N3OSe
InChI InChI=1S/C17H15N3OSe/c1-12-17(13(2)21)18-19-20(12)14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKey XGAAZYPYZRXBQI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.68
Molecular Weight 356.299 g/mol
Reported Formula C17H15N3OSe
SMILES c1(ccc(cc1)-[n]1nnc(c1C)C(C)=O)[Se]c1ccccc1
SPLASH splash10-0a4i-4290000000-6782eeca225b7a07177b
Source of Spectrum BJO-13-SM6-3j
Wiley ID 1848346