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diisopropyl (4-isopropyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-ylamino)(phenyl)methylphosphonate
SpectraBase Compound ID KoE96JPzlME
InChI InChI=1S/C18H28N3O3PS2/c1-12(2)21-18(26)27-17(20-21)19-16(15-10-8-7-9-11-15)25(22,23-13(3)4)24-14(5)6/h7-14,16H,1-6H3,(H,19,20)
InChIKey NFJPZILLLCYWNO-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 1shw3DvRldi
Name diisopropyl (4-isopropyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-ylamino)(phenyl)methylphosphonate
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Formula C18H28N3O3PS2
InChI InChI=1S/C18H28N3O3PS2/c1-12(2)21-18(26)27-17(20-21)19-16(15-10-8-7-9-11-15)25(22,23-13(3)4)24-14(5)6/h7-14,16H,1-6H3,(H,19,20)
InChIKey NFJPZILLLCYWNO-UHFFFAOYSA-N
Molecular Weight 429.534 g/mol
SMILES N(C=1SC(=S)N(C(C)C)N1)C(P(OC(C)C)(OC(C)C)=O)c1ccccc1
SPLASH splash10-03di-0092200000-b088eb7930c5fa59b796
Source of Spectrum HAC-12-600-9b
Synonyms diisopropyl (((4-isopropyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino)(phenyl)methyl)phosphonate
Wiley ID 1783400