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YSHABHNOVDIDCX-XPAKHABFSA-N
SpectraBase Compound ID JfdMMYB6juD
InChI InChI=1S/2C45H76N5O14PSSi2/c2*1-26(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/h2*22-23,26,29-37,40,46H,15-21,24-25H2,1-14H3,(H,47,51,53)(H,48,52,54)/t2*29-,30+,31-,32-,33+,34+,35+,36+,37-,40-,65?/m11/s1
InChIKey YSHABHNOVDIDCX-XPAKHABFSA-N
Mol Weight 2060.7 g/mol
Molecular Formula C90H152N10O28P2S2Si4
Exact Mass 2058.877127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3UDwSpiLJX
Name YSHABHNOVDIDCX-XPAKHABFSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H152N10O28P2S2Si4
InChI InChI=1S/2C45H76N5O14PSSi2/c2*1-26(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/h2*22-23,26,29-37,40,46H,15-21,24-25H2,1-14H3,(H,47,51,53)(H,48,52,54)/t2*29-,30+,31-,32-,33+,34+,35+,36+,37-,40-,65?/m11/s1
InChIKey YSHABHNOVDIDCX-XPAKHABFSA-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 2060.657 g/mol
Sample ID 37259
Solvent CDCl3