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(R,R)-PHTHALIC-ACID-BIS-[1-[3-(DIPHENYL-PHOSPHINOYL)-2-IODO-4-METHOXY-PHENOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
SpectraBase Compound ID 86Uy5DMnYpZ
InChI InChI=1S/C58H54I2O12P2/c1-57(2,3)51(55(63)69-43-33-35-45(67-7)49(47(43)59)73(65,37-23-13-9-14-24-37)38-25-15-10-16-26-38)71-53(61)41-31-21-22-32-42(41)54(62)72-52(58(4,5)6)56(64)70-44-34-36-46(68-8)50(48(44)60)74(66,39-27-17-11-18-28-39)40-29-19-12-20-30-40/h9-36,51-52H,1-8H3/t51-,52-/m0/s1
InChIKey NLIPBANDKWUWRS-XWQGWOARSA-N
Mol Weight 1258.8 g/mol
Molecular Formula C58H54I2O12P2
Exact Mass 1258.117991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BHoB8gUM2z
Name (R,R)-PHTHALIC-ACID-BIS-[1-[3-(DIPHENYL-PHOSPHINOYL)-2-IODO-4-METHOXY-PHENOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H54I2O12P2
InChI InChI=1S/C58H54I2O12P2/c1-57(2,3)51(55(63)69-43-33-35-45(67-7)49(47(43)59)73(65,37-23-13-9-14-24-37)38-25-15-10-16-26-38)71-53(61)41-31-21-22-32-42(41)54(62)72-52(58(4,5)6)56(64)70-44-34-36-46(68-8)50(48(44)60)74(66,39-27-17-11-18-28-39)40-29-19-12-20-30-40/h9-36,51-52H,1-8H3/t51-,52-/m0/s1
InChIKey NLIPBANDKWUWRS-XWQGWOARSA-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 1258.816 g/mol
Sample ID 40086
Solvent CDCl3