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2-(methylthio)-4-(triphenylphosphoranylideneamino)-5-thiazolecarboxylic acid ethyl ester
SpectraBase Compound ID Fz96SCYGkJt
InChI InChI=1S/C25H23N2O2PS2/c1-3-29-24(28)22-23(26-25(31-2)32-22)27-30(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,3H2,1-2H3
InChIKey UHORLGIOJUIEHI-UHFFFAOYSA-N
Mol Weight 478.56 g/mol
Molecular Formula C25H23N2O2PS2
Exact Mass 478.093857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOFQvQsxXvw
Name 2-(methylthio)-4-(triphenylphosphoranylideneamino)-5-thiazolecarboxylic acid ethyl ester
Alternate Name(s) 2-(methylthio)-4-(triphenylphosphoranylideneamino)thiazole-5-carboxylic acid ethyl ester ethyl 2-methylsulfanyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]thiazole-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C25H23N2O2PS2
InChI InChI=1S/C25H23N2O2PS2/c1-3-29-24(28)22-23(26-25(31-2)32-22)27-30(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,3H2,1-2H3
InChIKey UHORLGIOJUIEHI-UHFFFAOYSA-N
Molecular Weight 478.565 g/mol
SMILES c1(c(sc(n1)SC)C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-01t9-0070900000-693ffdd61ce790e27b48
Source of Spectrum F-49-589-13
Wiley ID 1394711