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[1-FLUORO-3-(S)-HYDROXYL-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE

View entire compound with spectra: 3 NMR

[1-FLUORO-3-(S)-HYDROXYL-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE
SpectraBase Compound ID 2vuVOOyyYdq
InChI InChI=1S/2C22H42FO6P/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)29-19-20(24)18-21(23)30(26,27)28/h2*9-10,20-21,24H,2-8,11-19H2,1H3,(H2,26,27,28)/b2*10-9+/t2*20-,21?/m00/s1
InChIKey PCISBKYMVLEQDW-OXBVIVAMSA-N
Mol Weight 905.1 g/mol
Molecular Formula C44H84F2O12P2
Exact Mass 904.540608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcZQ75PuCFX
Name [1-FLUORO-3-(S)-HYDROXYL-4-(OLEOYLOXY)-BUTYL]-PHOSPHONATE
Compound Number 3AA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H80F2O12P2
InChI InChI=1S/2C22H42FO6P/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)29-19-20(24)18-21(23)30(26,27)28/h2*9-10,20-21,24H,2-8,11-19H2,1H3,(H2,26,27,28)/b2*10-9+/t2*20-,21?/m00/s1
InChIKey PCISBKYMVLEQDW-OXBVIVAMSA-N
Literature Reference Author Y.XU,L.QIAN,G.D.PRESTWICH
Literature Reference Citation J.ORG.CHEM.,68,5320(2003)
Literature Reference DOI 10.1021/jo020729l
Molecular Weight 901.056 g/mol
Solvent CDCl3
Source File Reference UWVN25302