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1,2-DIPENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
SpectraBase Compound ID KFJt8O13Rdu
InChI InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3
InChIKey WEXRBKRFCBLWEL-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C18H36NO6PS2
Exact Mass 457.172167 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETIrxTBQFqj
Name 1,2-DIPENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H36NO6PS2
InChI InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3
InChIKey WEXRBKRFCBLWEL-UHFFFAOYSA-N
Literature Reference Author C.L.FRANKLIN,H.LI,S.F.MARTIN
Literature Reference Citation J.ORG.CHEM.,68,7298(2003)
Literature Reference DOI 10.1021/jo034411k
Solvent CDCl3
Source File Reference UWMS26756