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QSJPPAXKYGRVNQ-MHDVGIFFSA-N
SpectraBase Compound ID 38mz2Plu2VL
InChI InChI=1S/C70H77N11O14SSi/c1-42(2)60(83)75-68-73-58-54(62(85)77-68)71-40-80(58)65-57(95-67(87)46-22-14-9-15-23-46)50(38-91-66(86)45-20-12-8-13-21-45)53(94-65)34-37-96-39-51-52(33-36-92-97(70(5,6)7,48-24-16-10-17-25-48)49-26-18-11-19-27-49)93-64(56(51)82)79-41-72-55-59(79)74-69(76-61(84)43(3)4)78-63(55)90-35-32-44-28-30-47(31-29-44)81(88)89/h8-31,40-43,50-53,56-57,64-65,82H,32-39H2,1-7H3,(H,74,76,78,84)(H2,73,75,77,83,85)/t50-,51+,52+,53-,56+,57-,64+,65-/m1/s1
InChIKey QSJPPAXKYGRVNQ-MHDVGIFFSA-N
Mol Weight 1356.6 g/mol
Molecular Formula C70H77N11O14SSi
Exact Mass 1355.514144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38HLveFk7Eo
Name QSJPPAXKYGRVNQ-MHDVGIFFSA-N
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H77N11O14SSi
InChI InChI=1S/C70H77N11O14SSi/c1-42(2)60(83)75-68-73-58-54(62(85)77-68)71-40-80(58)65-57(95-67(87)46-22-14-9-15-23-46)50(38-91-66(86)45-20-12-8-13-21-45)53(94-65)34-37-96-39-51-52(33-36-92-97(70(5,6)7,48-24-16-10-17-25-48)49-26-18-11-19-27-49)93-64(56(51)82)79-41-72-55-59(79)74-69(76-61(84)43(3)4)78-63(55)90-35-32-44-28-30-47(31-29-44)81(88)89/h8-31,40-43,50-53,56-57,64-65,82H,32-39H2,1-7H3,(H,74,76,78,84)(H2,73,75,77,83,85)/t50-,51+,52+,53-,56+,57-,64+,65-/m1/s1
InChIKey QSJPPAXKYGRVNQ-MHDVGIFFSA-N
Literature Reference Author C.RICHERT,A.L.ROUGHTON,S.A.BENNER
Literature Reference Citation J.AM.CHEM.SOC.,118,4518(1996)
Literature Reference DOI 10.1021/ja952322m
Molecular Weight 1356.592 g/mol
Sample ID 57101
Solvent CDCl3