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O,O-DIBUTYL[PARA-FLUORO-ALPHA-(2-BUTYLTETRAZOL-5-YLAMINO)BENZYL]PHOSPHONATE
SpectraBase Compound ID KNmZ03iZFTd
InChI InChI=1S/C20H33FN5O3P/c1-4-7-14-26-24-20(23-25-26)22-19(17-10-12-18(21)13-11-17)30(27,28-15-8-5-2)29-16-9-6-3/h10-13,19H,4-9,14-16H2,1-3H3,(H,22,24)
InChIKey YPXGBVPOSFVDRO-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C20H33FN5O3P
Exact Mass 441.230505 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nVqgJdJZ6W
Name O,O-DIBUTYL[PARA-FLUORO-ALPHA-(2-BUTYLTETRAZOL-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 C20H33FN5O3P
InChI InChI=1S/C20H33FN5O3P/c1-4-7-14-26-24-20(23-25-26)22-19(17-10-12-18(21)13-11-17)30(27,28-15-8-5-2)29-16-9-6-3/h10-13,19H,4-9,14-16H2,1-3H3,(H,22,24)
InChIKey YPXGBVPOSFVDRO-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