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4-HYDROXY-7-METHYLMERCAPTO-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER
SpectraBase Compound ID IXVmBjfvWZ8
InChI InChI=1S/C11H18N5O4PS/c1-6(2)19-21(18,20-7(3)4)8-9(17)16-10(14-13-8)12-11(15-16)22-5/h6-7,17H,1-5H3
InChIKey NWQBOUJHLYXAKY-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C11H18N5O4PS
Exact Mass 347.081712 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIy1oHCnKGQ
Name 4-HYDROXY-7-METHYLMERCAPTO-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18N5O4PS
InChI InChI=1S/C11H18N5O4PS/c1-6(2)19-21(18,20-7(3)4)8-9(17)16-10(14-13-8)12-11(15-16)22-5/h6-7,17H,1-5H3
InChIKey NWQBOUJHLYXAKY-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 ACETONE-D6
Source File Reference UWRU2588