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5-Methylthia-7-phenyl-2-(p-methoxyphenyl)-2,3-dihydropyrazolo[4',5'-e]-1,3,2-diazaphosphorine-4(1H)-thione 2-sulfide
SpectraBase Compound ID 5M5urAXST23
InChI InChI=1S/C18H17N4OPS3/c1-23-13-8-10-14(11-9-13)24(26)20-16-15(17(25)21-24)18(27-2)19-22(16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21,25,26)
InChIKey DAJSOLJTHNBUJL-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C18H17N4OPS3
Exact Mass 432.030212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bTxgGAtFVg
Name 5-Methylthia-7-phenyl-2-(p-methoxyphenyl)-2,3-dihydropyrazolo[4',5'-e]-1,3,2-diazaphosphorine-4(1H)-thione 2-sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N4OPS3
InChI InChI=1S/C18H17N4OPS3/c1-23-13-8-10-14(11-9-13)24(26)20-16-15(17(25)21-24)18(27-2)19-22(16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21,25,26)
InChIKey DAJSOLJTHNBUJL-UHFFFAOYSA-N
Molecular Weight 432.515 g/mol
SMILES N1P(NC(c2c(SC)n[n](c12)-c1ccccc1)=S)(c1ccc(cc1)OC)=S
SPLASH splash10-0400-9000400000-92e7452dcb06b3e8750d
Source of Spectrum SO-0-2449-6
Wiley ID 878962