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Dibutyl (4-fluorophenyl)[(2-propyl-2H-tetraazol-5-yl)amino]methylphosphonate
SpectraBase Compound ID K04FkBJw02G
InChI InChI=1S/C19H31FN5O3P/c1-4-7-14-27-29(26,28-15-8-5-2)18(16-9-11-17(20)12-10-16)21-19-22-24-25(23-19)13-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKey KXKCWHKYWCDTKM-UHFFFAOYSA-N
Mol Weight 427.46 g/mol
Molecular Formula C19H31FN5O3P
Exact Mass 427.214855 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCZ57Vn9neu
Name O,O-DIBUTYL[PARA-FLUORO-ALPHA-(2-PROPYLTETRAZOL-5-YLAMINO)BENZYL]PHOSPHONATE
Comments , ERRATA IN STRUCTURE: DIHYDROTETRAZOL IS WROTE IN ORIGINAL. CORRECTED;NON-SERIAL (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H31FN5O3P
InChI InChI=1S/C19H31FN5O3P/c1-4-7-14-27-29(26,28-15-8-5-2)18(16-9-11-17(20)12-10-16)21-19-22-24-25(23-19)13-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKey KXKCWHKYWCDTKM-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.KRUTIKOV, A.L.KOVALENKO, E.V.SUKHANOVSKAYA, I.A.TSAR'KOVA, A.N.LAVRENT'EV(1992) Zhurn.Obsch.Khim.(Russ. Lang.): v.62, N3, 556-561.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported