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O,O-Diphenyl-2-isopropylthio-1-(N-phenylthioureido)ethanephosphonate
SpectraBase Compound ID AHzOEbMAFF4
InChI InChI=1S/C24H27N2O3PS2/c1-19(2)32-18-23(26-24(31)25-20-12-6-3-7-13-20)30(27,28-21-14-8-4-9-15-21)29-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H2,25,26,31)
InChIKey UPTRWHBWIAQKEN-UHFFFAOYSA-N
Mol Weight 486.58 g/mol
Molecular Formula C24H27N2O3PS2
Exact Mass 486.120072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60Cx7odjVOJ
Name O,O-Diphenyl-2-isopropylthio-1-(N-phenylthioureido)ethanephosphonate
Alternate Name(s) diphenyl 1-[(anilinocarbothioyl)amino]-2-(isopropylsulfanyl)ethylphosphonate
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Formula C24H27N2O3PS2
InChI InChI=1S/C24H27N2O3PS2/c1-19(2)32-18-23(26-24(31)25-20-12-6-3-7-13-20)30(27,28-21-14-8-4-9-15-21)29-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H2,25,26,31)
InChIKey UPTRWHBWIAQKEN-UHFFFAOYSA-N
Molecular Weight 486.585 g/mol
SMILES N(C(P(Oc1ccccc1)(Oc1ccccc1)=O)CSC(C)C)C(Nc1ccccc1)=S
SPLASH splash10-000f-9004000000-b00e14247d3b2a16a48c
Source of Spectrum SO-0-644-8
Wiley ID 1537623