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1-(2,4-Dichlorophenyl)-3-phenyl-4-(phenylselanyl)-1H-pyrazol-5-amine
SpectraBase Compound ID 5ETWEMFp84B
InChI InChI=1S/C21H15Cl2N3Se/c22-15-11-12-18(17(23)13-15)26-21(24)20(27-16-9-5-2-6-10-16)19(25-26)14-7-3-1-4-8-14/h1-13H,24H2
InChIKey MBJHSXOOTLYOKE-UHFFFAOYSA-N
Mol Weight 459.25 g/mol
Molecular Formula C21H15Cl2N3Se
Exact Mass 458.980825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jm2YcP8Bl7m
Name 1-(2,4-Dichlorophenyl)-3-phenyl-4-(phenylselanyl)-1H-pyrazol-5-amine
Appearance Brown oil
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Formula C21H15Cl2N3Se
InChI InChI=1S/C21H15Cl2N3Se/c22-15-11-12-18(17(23)13-15)26-21(24)20(27-16-9-5-2-6-10-16)19(25-26)14-7-3-1-4-8-14/h1-13H,24H2
InChIKey MBJHSXOOTLYOKE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.256
Molecular Weight 459.250 g/mol
Reported Formula C21H15Cl2N3Se
SMILES Nc1[n](nc(-c2ccccc2)c1[Se]c1ccccc1)-c1ccc(cc1Cl)Cl
SPLASH splash10-00b9-2212900000-df6aefd86d518328aaa0
Source of Spectrum BJO-14-SM5-4i
Wiley ID 1845752