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(R,R)-PHTHALIC-ACID-BIS-[1-[2-(DIPHENYL-PHOSPHINOYL)-3-IODO-2',4',6'-TRIMETHYL-BIPHENYL-4-YLOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
SpectraBase Compound ID PXNJ8H4nWR
InChI InChI=1S/C74H70I2O10P2/c1-45-41-47(3)61(48(4)42-45)57-37-39-59(63(75)65(57)87(81,51-27-17-13-18-28-51)52-29-19-14-20-30-52)83-71(79)67(73(7,8)9)85-69(77)55-35-25-26-36-56(55)70(78)86-68(74(10,11)12)72(80)84-60-40-38-58(62-49(5)43-46(2)44-50(62)6)66(64(60)76)88(82,53-31-21-15-22-32-53)54-33-23-16-24-34-54/h13-44,67-68H,1-12H3/t67-,68-/m0/s1
InChIKey WTOSPQRNMDKZQG-NZTQFBENSA-N
Mol Weight 1435.1 g/mol
Molecular Formula C74H70I2O10P2
Exact Mass 1434.253362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50xfdepw5kF
Name (R,R)-PHTHALIC-ACID-BIS-[1-[2-(DIPHENYL-PHOSPHINOYL)-3-IODO-2',4',6'-TRIMETHYL-BIPHENYL-4-YLOXYCARBONYL]-2,2-DIMETHYL-PROPYL]-ESTER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H70I2O10P2
InChI InChI=1S/C74H70I2O10P2/c1-45-41-47(3)61(48(4)42-45)57-37-39-59(63(75)65(57)87(81,51-27-17-13-18-28-51)52-29-19-14-20-30-52)83-71(79)67(73(7,8)9)85-69(77)55-35-25-26-36-56(55)70(78)86-68(74(10,11)12)72(80)84-60-40-38-58(62-49(5)43-46(2)44-50(62)6)66(64(60)76)88(82,53-31-21-15-22-32-53)54-33-23-16-24-34-54/h13-44,67-68H,1-12H3/t67-,68-/m0/s1
InChIKey WTOSPQRNMDKZQG-NZTQFBENSA-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 1435.120 g/mol
Sample ID 40089
Solvent CDCl3