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1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-4-YLETHANOYL]-PHOSPHATIDILCHOLINE
SpectraBase Compound ID 6PmVjAUhTi6
InChI InChI=1S/C56H68NO12PS2/c1-6-8-10-12-33-64-44-26-20-40(21-27-44)36-49-55(60)53-42(16-14-18-47(53)71-49)24-30-51(58)66-38-46(39-68-70(62,63)67-35-32-57(3,4)5)69-52(59)31-25-43-17-15-19-48-54(43)56(61)50(72-48)37-41-22-28-45(29-23-41)65-34-13-11-9-7-2/h14-23,26-29,36-37,46H,6-13,24-25,30-35,38-39H2,1-5H3/b49-36-,50-37-/t46-/m1/s1
InChIKey KIYNGESVJKTPHJ-KSVYKZJZSA-N
Mol Weight 1042.2 g/mol
Molecular Formula C56H68NO12PS2
Exact Mass 1041.392056 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DbCsrcAPsP
Name 1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-4-YLETHANOYL]-PHOSPHATIDILCHOLINE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H68NO12PS2
InChI InChI=1S/C56H68NO12PS2/c1-6-8-10-12-33-64-44-26-20-40(21-27-44)36-49-55(60)53-42(16-14-18-47(53)71-49)24-30-51(58)66-38-46(39-68-70(62,63)67-35-32-57(3,4)5)69-52(59)31-25-43-17-15-19-48-54(43)56(61)50(72-48)37-41-22-28-45(29-23-41)65-34-13-11-9-7-2/h14-23,26-29,36-37,46H,6-13,24-25,30-35,38-39H2,1-5H3/b49-36-,50-37-/t46-/m1/s1
InChIKey KIYNGESVJKTPHJ-KSVYKZJZSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Solvent CDCl3
Source File Reference UWVN26282