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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

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWHi1VGCQlA
Name O,O-DIISOBUTYL[PARA-FLUORO-ALPHA-(2-ETHYLTETRAZOL-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 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
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