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Diisobutyl [(2-ethyl-2H-tetraazol-5-yl)amino](4-fluorophenyl)methylphosphonate
SpectraBase Compound ID FLAh5pXzHdF
InChI InChI=1S/C18H29FN5O3P/c1-6-24-22-18(21-23-24)20-17(15-7-9-16(19)10-8-15)28(25,26-11-13(2)3)27-12-14(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,20,22)
InChIKey UXARWDLACNCLAC-UHFFFAOYSA-N
Mol Weight 413.43 g/mol
Molecular Formula C18H29FN5O3P
Exact Mass 413.199205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3lDnzIlp0l
Name Diisobutyl [(2-ethyl-2H-tetraazol-5-yl)amino](4-fluorophenyl)methylphosphonate
Alternate Name(s) Methylphosphonic acid, 1-(2-ethyltetrazol-5-ylamino)-1-(4-fluorophenyl)-, di(2-methylpropyl) ester N-[bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyl-1,2,3,4-tetrazol-5-amine N-[bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyl-5-tetrazolamine N-[bis(2-methylpropoxy)phosphoryl-(4-fluorophenyl)methyl]-2-ethyltetrazol-5-amine N-[diisobutoxyphosphoryl-(4-fluorophenyl)methyl]-2-ethyl-tetrazol-5-amine [diisobutoxyphosphoryl-(4-fluorophenyl)methyl]-(2-ethyltetrazol-5-yl)amine
CAS Registry Number 134589-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29FN5O3P
InChI InChI=1S/C18H29FN5O3P/c1-6-24-22-18(21-23-24)20-17(15-7-9-16(19)10-8-15)28(25,26-11-13(2)3)27-12-14(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,20,22)
InChIKey UXARWDLACNCLAC-UHFFFAOYSA-N
Molecular Weight 413.434 g/mol
SMILES N(c1n[n](CC)nn1)C(P(OCC(C)C)(OCC(C)C)=O)c1ccc(cc1)F
SPLASH splash10-00di-4690000000-519a2dedde19a86d07cb
Source of Spectrum AD-0-2532-0
Wiley ID 1434136