John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5wMWtfVlxI9 SpectraBase Spectrum ID=10ab9Jsc2G6

(accessed ).
4-HYDROXY-7-METHYLMERCAPTO-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID 5wMWtfVlxI9
InChI InChI=1S/C9H14N5O4PS/c1-4-17-19(16,18-5-2)6-7(15)14-8(12-11-6)10-9(13-14)20-3/h15H,4-5H2,1-3H3
InChIKey UQNBMFOWTMISGF-UHFFFAOYSA-N
Mol Weight 319.28 g/mol
Molecular Formula C9H14N5O4PS
Exact Mass 319.050414 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10ab9Jsc2G6
Name 4-HYDROXY-7-METHYLMERCAPTO-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 14A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14N5O4PS
InChI InChI=1S/C9H14N5O4PS/c1-4-17-19(16,18-5-2)6-7(15)14-8(12-11-6)10-9(13-14)20-3/h15H,4-5H2,1-3H3
InChIKey UQNBMFOWTMISGF-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 UWRU2587
SpectraBase Batch ID 6t9XiWXeHWs