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O,O-DIMETHYL[PARA-FLUORO-ALPHA-(2-(2'-HYDROXYETHYL)TETRAZOL-5-YLAMINO)BENZYL]PHOSPHONATE
SpectraBase Compound ID EEx9Cgbfzwf
InChI InChI=1S/C12H17FN5O4P/c1-21-23(20,22-2)11(9-3-5-10(13)6-4-9)14-12-15-17-18(16-12)7-8-19/h3-6,11,19H,7-8H2,1-2H3,(H,14,16)
InChIKey KZPDWCVDYVBODQ-UHFFFAOYSA-N
Mol Weight 345.27 g/mol
Molecular Formula C12H17FN5O4P
Exact Mass 345.100219 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJQoMJztQK9
Name O,O-DIMETHYL[PARA-FLUORO-ALPHA-(2-(2'-HYDROXYETHYL)TETRAZOL-5-YLAMINO)BENZYL]PHOSPHONATE
Comments , ERRATA IN STRUCTURE: DIHYDROTETRAZOL IS WROTE IN ORIGINAL. CORRECTED;NON-SERIAL (RUSSIAN)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H17FN5O4P
InChI InChI=1S/C12H17FN5O4P/c1-21-23(20,22-2)11(9-3-5-10(13)6-4-9)14-12-15-17-18(16-12)7-8-19/h3-6,11,19H,7-8H2,1-2H3,(H,14,16)
InChIKey KZPDWCVDYVBODQ-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