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O,O-DIBUTYL[4-FLUOROPHENYL(TETRAZOL-5-YLAMINO)METHYL]PHOSPHONATE

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O,O-DIBUTYL[4-FLUOROPHENYL(TETRAZOL-5-YLAMINO)METHYL]PHOSPHONATE
SpectraBase Compound ID 5BwkNo6YjMe
InChI InChI=1S/C16H25FN5O3P/c1-3-5-11-24-26(23,25-12-6-4-2)15(18-16-19-21-22-20-16)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKey MPJHMKKFJWKZBA-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C16H25FN5O3P
Exact Mass 385.167905 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rRiFQglkju
Name O,O-DIBUTYL[PARA-FLUORO-ALPHA-(TETRAZOL-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 C16H25FN5O3P
InChI InChI=1S/C16H25FN5O3P/c1-3-5-11-24-26(23,25-12-6-4-2)15(18-16-19-21-22-20-16)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKey MPJHMKKFJWKZBA-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