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Methyl 3-[[1-benzyl-5-(phenylselanyl)]-1H-1,2,3-triazole-4-carboxamido]benzoate
SpectraBase Compound ID Ea6Wo4xymYC
InChI InChI=1S/C24H20N4O3Se/c1-31-24(30)18-11-8-12-19(15-18)25-22(29)21-23(32-20-13-6-3-7-14-20)28(27-26-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,25,29)
InChIKey RFKWJTBAKGOGKZ-UHFFFAOYSA-N
Mol Weight 491.42 g/mol
Molecular Formula C24H20N4O3Se
Exact Mass 492.070063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hAm0AzFz47
Name Methyl 3-[[1-benzyl-5-(phenylselanyl)]-1H-1,2,3-triazole-4-carboxamido]benzoate
Appearance Pale orange solid
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Exact Mass 492.070062517 u
Formula C24H20N4O3Se
InChI InChI=1S/C24H20N4O3Se/c1-31-24(30)18-11-8-12-19(15-18)25-22(29)21-23(32-20-13-6-3-7-14-20)28(27-26-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,25,29)
InChIKey RFKWJTBAKGOGKZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601821
Molecular Weight 491.421 g/mol
Reported Formula C24H20N4O3Se
SMILES N(C(C1=C(N(CC2=CC=CC=C2)N=N1)[Se]C1=CC=CC=C1)=O)C=1C=CC=C(C1)C(=O)OC
SPLASH splash10-0k9x-0091800000-d8c77e4b4c8a1222449a
Source of Spectrum QE-22-SM19-3m (DOI: 10.1002/chem.201601821)
Wiley ID 1903461