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IGZMLVNDIYBLPA-UGHIDPIKSA-N
SpectraBase Compound ID KzPtBUfwJqN
InChI InChI=1S/C45H76N5O14PSSi2/c1-26(2)46-21-31-36(37-40(59-31)61-45(60-37)17-15-16-18-45)63-65(66,55-24-32-30(64-68(13,14)44(8,9)10)20-35(57-32)50-23-28(4)39(52)48-42(50)54)62-29-19-34(49-22-27(3)38(51)47-41(49)53)58-33(29)25-56-67(11,12)43(5,6)7/h22-23,26,29-37,40,46H,15-21,24-25H2,1-14H3,(H,47,51,53)(H,48,52,54)/t29-,30+,31-,32-,33+,34+,35-,36+,37-,40-,65?/m0/s1
InChIKey IGZMLVNDIYBLPA-UGHIDPIKSA-N
Mol Weight 1030.3 g/mol
Molecular Formula C45H76N5O14PSSi2
Exact Mass 1029.438563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UEHxVVHi1j
Name IGZMLVNDIYBLPA-UGHIDPIKSA-N
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H76N5O14PSSi2
InChI InChI=1S/C45H76N5O14PSSi2/c1-26(2)46-21-31-36(37-40(59-31)61-45(60-37)17-15-16-18-45)63-65(66,55-24-32-30(64-68(13,14)44(8,9)10)20-35(57-32)50-23-28(4)39(52)48-42(50)54)62-29-19-34(49-22-27(3)38(51)47-41(49)53)58-33(29)25-56-67(11,12)43(5,6)7/h22-23,26,29-37,40,46H,15-21,24-25H2,1-14H3,(H,47,51,53)(H,48,52,54)/t29-,30+,31-,32-,33+,34+,35-,36+,37-,40-,65?/m0/s1
InChIKey IGZMLVNDIYBLPA-UGHIDPIKSA-N
Literature Reference Author Y.JIN,G.JUST
Literature Reference Citation J.ORG.CHEM.,63,3647(1998)
Literature Reference DOI 10.1021/jo972318o
Molecular Weight 1030.328 g/mol
Sample ID 37262
Solvent CDCl3