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Diphenyl 1-(phenylthioureido)-3-t-butylthiopropanephosphonate
SpectraBase Compound ID 2bdZtCPOxwW
InChI InChI=1S/C26H31N2O3PS2/c1-26(2,3)34-20-19-24(28(25(27)33)21-13-7-4-8-14-21)32(29,30-22-15-9-5-10-16-22)31-23-17-11-6-12-18-23/h4-18,24H,19-20H2,1-3H3,(H2,27,33)
InChIKey SXQUVMQBHIPAHL-UHFFFAOYSA-N
Mol Weight 514.64 g/mol
Molecular Formula C26H31N2O3PS2
Exact Mass 514.151372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4qGM1VIxJv
Name Diphenyl 1-(phenylthioureido)-3-t-butylthiopropanephosphonate
Alternate Name(s) diphenyl 1-[(aminocarbothioyl)anilino]-3-(tert-butylsulfanyl)propylphosphonate
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Formula C26H31N2O3PS2
InChI InChI=1S/C26H31N2O3PS2/c1-26(2,3)34-20-19-24(28(25(27)33)21-13-7-4-8-14-21)32(29,30-22-15-9-5-10-16-22)31-23-17-11-6-12-18-23/h4-18,24H,19-20H2,1-3H3,(H2,27,33)
InChIKey SXQUVMQBHIPAHL-UHFFFAOYSA-N
Molecular Weight 514.639 g/mol
SMILES NC(N(C(CCSC(C)(C)C)P(Oc1ccccc1)(Oc1ccccc1)=O)c1ccccc1)=S
SPLASH splash10-014i-0009100000-c1aaa1a793ce1650f40e
Source of Spectrum SO-0-1032-4
Wiley ID 1537464