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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5Hgo19IeGu
Name Dibutyl (4-fluorophenyl)[(2-propyl-2H-tetraazol-5-yl)amino]methylphosphonate
CAS Registry Number 145181-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 427.461 g/mol
SMILES N(c1n[n](CCC)nn1)C(P(=O)(OCCCC)OCCCC)c1ccc(F)cc1
SPLASH splash10-001l-9760000000-a1cee7f3ee6d3918c27f
Source of Spectrum AD-0-2532-0
Synonyms 2H-Tetrazol-5-amine, 2-propyl-N-[(dibutylphosphonato)(4-flluorophenyl)methyl]- N-[dibutoxyphosphoryl-(4-fluorophenyl)methyl]-2-propyl-1,2,3,4-tetrazol-5-amine N-[dibutoxyphosphoryl-(4-fluorophenyl)methyl]-2-propyl-5-tetrazolamine N-[dibutoxyphosphoryl-(4-fluorophenyl)methyl]-2-propyl-tetrazol-5-amine [dibutoxyphosphoryl-(4-fluorophenyl)methyl]-(2-propyltetrazol-5-yl)amine
Wiley ID 1434130