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Benzyl N,N'-di(quinolin-3-yl-carbonyl)-imidoselenocarbamate
SpectraBase Compound ID GElDdNN466B
InChI InChI=1S/C28H20N4O2Se/c33-26(22-14-20-10-4-6-12-24(20)29-16-22)31-28(35-18-19-8-2-1-3-9-19)32-27(34)23-15-21-11-5-7-13-25(21)30-17-23/h1-17H,18H2,(H,31,32,33,34)
InChIKey WJOMPSYBRIZMDX-UHFFFAOYSA-N
Mol Weight 523.47 g/mol
Molecular Formula C28H20N4O2Se
Exact Mass 524.075148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 243Xrs1TnpE
Name Benzyl N,N'-di(quinolin-3-yl-carbonyl)-imidoselenocarbamate
Alternate Name(s) N,N'-bis[oxo(3-quinolinyl)methyl]carbamimidoselenoic acid (phenylmethyl) ester benzyl N,N'-bis(quinoline-3-carbonyl)carbamimidoselenoate N-[C-benzylselanyl-N-(quinoline-3-carbonyl)carbonimidoyl]quinoline-3-carboxamide (phenylmethyl) N,N'-bis(quinolin-3-ylcarbonyl)carbamimidoselenoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H20N4O2Se
InChI InChI=1S/C28H20N4O2Se/c33-26(22-14-20-10-4-6-12-24(20)29-16-22)31-28(35-18-19-8-2-1-3-9-19)32-27(34)23-15-21-11-5-7-13-25(21)30-17-23/h1-17H,18H2,(H,31,32,33,34)
InChIKey WJOMPSYBRIZMDX-UHFFFAOYSA-N
Molecular Weight 523.466 g/mol
SMILES N(\C(=N\C(c1cc2c(cccc2)nc1)=O)[Se]Cc1ccccc1)C(c1cc2c(cccc2)nc1)=O
SPLASH splash10-0006-9000000000-839389e4c980775786ec
Source of Spectrum F2-46-273-8c
Wiley ID 1689888