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2-Methylthio-4-phenyl-1-[.alpha.(triphenylphosphoranylidenamino)-4-methylbenzylideneamino]imidazole
SpectraBase Compound ID FGcUseogeEN
InChI InChI=1S/C36H31N4PS/c1-28-23-25-30(26-24-28)35(38-40-27-34(37-36(40)42-2)29-15-7-3-8-16-29)39-41(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-27H,1-2H3/b38-35+
InChIKey ZKPJRVVNYKANAY-OBEQGSJMSA-N
Mol Weight 582.7 g/mol
Molecular Formula C36H31N4PS
Exact Mass 582.200705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eotaaLlcu
Name 2-Methylthio-4-phenyl-1-[.alpha.(triphenylphosphoranylidenamino)-4-methylbenzylideneamino]imidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H31N4PS
InChI InChI=1S/C36H31N4PS/c1-28-23-25-30(26-24-28)35(38-40-27-34(37-36(40)42-2)29-15-7-3-8-16-29)39-41(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-27H,1-2H3/b38-35+
InChIKey ZKPJRVVNYKANAY-OBEQGSJMSA-N
Molecular Weight 582.706 g/mol
SMILES c1([n](cc(n1)-c1ccccc1)\N=C/(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)SC
SPLASH splash10-0pbc-3900000000-c7759c15f686ef9477eb
Source of Spectrum SO-0-845-8
Synonyms 4-Methyl-N'-[2-(methylsulfanyl)-4-phenyl-1H-imidazol-1-yl]-N-(triphenylphosphoranylidene)benzenecarboximidamide
Wiley ID 1540933