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Diphenyl 1-(phenylthioureido)-3-n-butylthiopropanephosphonate
SpectraBase Compound ID Lko8mPLDhM7
InChI InChI=1S/C26H31N2O3PS2/c1-2-3-20-34-21-19-25(28(26(27)33)22-13-7-4-8-14-22)32(29,30-23-15-9-5-10-16-23)31-24-17-11-6-12-18-24/h4-18,25H,2-3,19-21H2,1H3,(H2,27,33)
InChIKey VXFVPBYJPIIUEQ-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 Di3pv9PfDre
Name Diphenyl 1-(phenylthioureido)-3-n-butylthiopropanephosphonate
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Formula C26H31N2O3PS2
InChI InChI=1S/C26H31N2O3PS2/c1-2-3-20-34-21-19-25(28(26(27)33)22-13-7-4-8-14-22)32(29,30-23-15-9-5-10-16-23)31-24-17-11-6-12-18-24/h4-18,25H,2-3,19-21H2,1H3,(H2,27,33)
InChIKey VXFVPBYJPIIUEQ-UHFFFAOYSA-N
Molecular Weight 514.639 g/mol
SMILES NC(N(C(CCSCCCC)P(Oc1ccccc1)(Oc1ccccc1)=O)c1ccccc1)=S
SPLASH splash10-000i-0090310000-8233fe80dd5a84d24586
Source of Spectrum SO-0-1032-4
Synonyms diphenyl 1-[(aminocarbothioyl)anilino]-3-(butylsulfanyl)propylphosphonate
Wiley ID 1537466