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(R,R)-PHTHALIC-ACID-BIS-[1-[3-(DIPHENYL-PHOSPHINOYL)-2-IODO-4-(PARA-TOLYLOXY)-PHENOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
SpectraBase Compound ID 632VkmL9vSJ
InChI InChI=1S/C70H62I2O12P2/c1-45-33-37-47(38-34-45)79-57-43-41-55(59(71)61(57)85(77,49-23-13-9-14-24-49)50-25-15-10-16-26-50)81-67(75)63(69(3,4)5)83-65(73)53-31-21-22-32-54(53)66(74)84-64(70(6,7)8)68(76)82-56-42-44-58(80-48-39-35-46(2)36-40-48)62(60(56)72)86(78,51-27-17-11-18-28-51)52-29-19-12-20-30-52/h9-44,63-64H,1-8H3/t63-,64-/m0/s1
InChIKey SAAJOLAYZIOSLW-VKOZLBNWSA-N
Mol Weight 1411.0 g/mol
Molecular Formula C70H62I2O12P2
Exact Mass 1410.180591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85IqwsICUMr
Name (R,R)-PHTHALIC-ACID-BIS-[1-[3-(DIPHENYL-PHOSPHINOYL)-2-IODO-4-(PARA-TOLYLOXY)-PHENOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H62I2O12P2
InChI InChI=1S/C70H62I2O12P2/c1-45-33-37-47(38-34-45)79-57-43-41-55(59(71)61(57)85(77,49-23-13-9-14-24-49)50-25-15-10-16-26-50)81-67(75)63(69(3,4)5)83-65(73)53-31-21-22-32-54(53)66(74)84-64(70(6,7)8)68(76)82-56-42-44-58(80-48-39-35-46(2)36-40-48)62(60(56)72)86(78,51-27-17-11-18-28-51)52-29-19-12-20-30-52/h9-44,63-64H,1-8H3/t63-,64-/m0/s1
InChIKey SAAJOLAYZIOSLW-VKOZLBNWSA-N
Literature Reference Author E.GOROBETS,R.M.DONALD,B.A.KEAY
Literature Reference Citation ORG.LETTERS,8,1483(2006)
Literature Reference DOI 10.1021/ol060484p
Molecular Weight 1411.012 g/mol
Sample ID 40087
Solvent CDCl3