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NSCDUFVPQUMJPE-OSTXLSCGSA-N
SpectraBase Compound ID ACo7VxArT48
InChI InChI=1S/C49H56IN8O12PSi/c1-31-26-57(47(62)52-45(31)60)42-24-38(41(30-59)66-42)68-71(64,65-22-12-21-51)69-39(23-35-29-56(55-54-35)28-33-17-19-34(50)20-18-33)44-40(25-43(67-44)58-27-32(2)46(61)53-48(58)63)70-72(49(3,4)5,36-13-8-6-9-14-36)37-15-10-7-11-16-37/h6-11,13-20,26-27,29,38-44,59H,12,22-25,28,30H2,1-5H3,(H,52,60,62)(H,53,61,63)/t38-,39?,40-,41+,42+,43+,44+,71?/m0/s1
InChIKey NSCDUFVPQUMJPE-OSTXLSCGSA-N
Mol Weight 1135.0 g/mol
Molecular Formula C49H56IN8O12PSi
Exact Mass 1134.256928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFVHAd461kf
Name NSCDUFVPQUMJPE-OSTXLSCGSA-N
Compound Number 4CT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H56IN8O12PSi
InChI InChI=1S/C49H56IN8O12PSi/c1-31-26-57(47(62)52-45(31)60)42-24-38(41(30-59)66-42)68-71(64,65-22-12-21-51)69-39(23-35-29-56(55-54-35)28-33-17-19-34(50)20-18-33)44-40(25-43(67-44)58-27-32(2)46(61)53-48(58)63)70-72(49(3,4)5,36-13-8-6-9-14-36)37-15-10-7-11-16-37/h6-11,13-20,26-27,29,38-44,59H,12,22-25,28,30H2,1-5H3,(H,52,60,62)(H,53,61,63)/t38-,39?,40-,41+,42+,43+,44+,71?/m0/s1
InChIKey NSCDUFVPQUMJPE-OSTXLSCGSA-N
Literature Reference Author D.JAMES,J.M.ESCUDIER,M.SZLOSEK-PINAUD,E.FOUQUET
Literature Reference Citation MOLECULES,18,13654(2013)
Literature Reference DOI 10.3390/molecules181113654
Molecular Weight 1134.994 g/mol
Solvent CDCl3
Source File Reference UWIR9877