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Diisopropyl{[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]amino}(phenyl)methylphosphonate
SpectraBase Compound ID I48HAfn0S4e
InChI InChI=1S/C18H28N3O3PS2/c1-12(2)23-25(22,24-13(3)4)16(15-10-8-7-9-11-15)19-17-20-21-18(27-17)26-14(5)6/h7-14,16H,1-6H3,(H,19,20)
InChIKey ALPVNIXZKBWTMC-UHFFFAOYSA-N
Mol Weight 429.53 g/mol
Molecular Formula C18H28N3O3PS2
Exact Mass 429.130971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdgSAZRSZ8p
Name Diisopropyl{[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]amino}(phenyl)methylphosphonate
Alternate Name(s) diisopropyl (((5-(isopropylthio)-1,3,4-thiadiazol-2-yl)amino)(phenyl)methyl)phosphonate
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Formula C18H28N3O3PS2
InChI InChI=1S/C18H28N3O3PS2/c1-12(2)23-25(22,24-13(3)4)16(15-10-8-7-9-11-15)19-17-20-21-18(27-17)26-14(5)6/h7-14,16H,1-6H3,(H,19,20)
InChIKey ALPVNIXZKBWTMC-UHFFFAOYSA-N
Molecular Weight 429.534 g/mol
SMILES N(c1sc(nn1)SC(C)C)C(P(OC(C)C)(OC(C)C)=O)c1ccccc1
SPLASH splash10-03di-0092200000-4f54e38aa3764c5c8855
Source of Spectrum HAC-12-600-9a
Wiley ID 1783399