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7-METHYL-MERCAPTO-4-(4'-METHYLPHENYL)-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID IZ6g1WpWK95
InChI InChI=1S/C16H20N5O3PS/c1-5-23-25(22,24-6-2)14-13(12-9-7-11(3)8-10-12)21-15(19-18-14)17-16(20-21)26-4/h7-10H,5-6H2,1-4H3
InChIKey BBKMIUDDSFFZLW-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C16H20N5O3PS
Exact Mass 393.102448 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AO6WUeUs69
Name 7-METHYL-MERCAPTO-4-(4'-METHYLPHENYL)-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N5O3PS
InChI InChI=1S/C16H20N5O3PS/c1-5-23-25(22,24-6-2)14-13(12-9-7-11(3)8-10-12)21-15(19-18-14)17-16(20-21)26-4/h7-10H,5-6H2,1-4H3
InChIKey BBKMIUDDSFFZLW-UHFFFAOYSA-N
Literature Reference Author T.ANKENBRAND,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,51,513(1999)
Literature Reference DOI 10.3987/COM-98-8385
Solvent CDCl3
Source File Reference UWRU2596