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Diphenyl 1-(phenylthioureido)-3-n-propylthiopropanephosphonate
SpectraBase Compound ID 7ecLdJHAadi
InChI InChI=1S/C25H29N2O3PS2/c1-2-19-33-20-18-24(27(25(26)32)21-12-6-3-7-13-21)31(28,29-22-14-8-4-9-15-22)30-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3,(H2,26,32)
InChIKey KEDAMVJRUVXRRP-UHFFFAOYSA-N
Mol Weight 500.61 g/mol
Molecular Formula C25H29N2O3PS2
Exact Mass 500.135722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1sbR9xVS9N
Name Diphenyl 1-(phenylthioureido)-3-n-propylthiopropanephosphonate
Alternate Name(s) diphenyl 1-[(aminocarbothioyl)anilino]-3-(propylsulfanyl)propylphosphonate
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Formula C25H29N2O3PS2
InChI InChI=1S/C25H29N2O3PS2/c1-2-19-33-20-18-24(27(25(26)32)21-12-6-3-7-13-21)31(28,29-22-14-8-4-9-15-22)30-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3,(H2,26,32)
InChIKey KEDAMVJRUVXRRP-UHFFFAOYSA-N
Molecular Weight 500.612 g/mol
SMILES NC(N(C(CCSCCC)P(Oc1ccccc1)(Oc1ccccc1)=O)c1ccccc1)=S
SPLASH splash10-000i-0090100000-7e116ffbde2a0429f8a3
Source of Spectrum SO-0-1032-4
Wiley ID 1537467