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#10B;(3R,3'R,7'AR,8R,9'R,11'AS)-3',5,5',6,6',8,9',15',16'-NONAMETHYL-3',8,9'-TRIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1,1',2',3',8,9,10,10',11,12'-DECYL
SpectraBase Compound ID 5QRvGFHSE26
InChI InChI=1S/C87H144O6/c1-58(2)31-22-34-61(7)37-25-40-64(10)43-28-49-82(19)52-46-73-74-48-54-86(91-79(74)69(15)67(13)77(73)89-82)81(88)71(17)72(18)87-85(86,56-55-84(21,93-87)51-30-45-66(12)42-27-39-63(9)36-24-33-60(5)6)57-76-75-47-53-83(20,90-78(75)68(14)70(16)80(76)92-87)50-29-44-65(11)41-26-38-62(8)35-23-32-59(3)4/h58-66H,22-57H2,1-21H3/t61-,62-,63+,64-,65-,66+,82-,83-,84-,85+,86+,87+/m1/s1
InChIKey DMRGZXCDSJTYSL-JHXRWUFISA-N
Mol Weight 1286.1 g/mol
Molecular Formula C87H144O6
Exact Mass 1285.096292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8gyND5H1p7
Name #10B;(3R,3'R,7'AR,8R,9'R,11'AS)-3',5,5',6,6',8,9',15',16'-NONAMETHYL-3',8,9'-TRIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1,1',2',3',8,9,10,10',11,12'-DECYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C87H144O6
InChI InChI=1S/C87H144O6/c1-58(2)31-22-34-61(7)37-25-40-64(10)43-28-49-82(19)52-46-73-74-48-54-86(91-79(74)69(15)67(13)77(73)89-82)81(88)71(17)72(18)87-85(86,56-55-84(21,93-87)51-30-45-66(12)42-27-39-63(9)36-24-33-60(5)6)57-76-75-47-53-83(20,90-78(75)68(14)70(16)80(76)92-87)50-29-44-65(11)41-26-38-62(8)35-23-32-59(3)4/h58-66H,22-57H2,1-21H3/t61-,62-,63+,64-,65-,66+,82-,83-,84-,85+,86+,87+/m1/s1
InChIKey DMRGZXCDSJTYSL-JHXRWUFISA-N
Literature Reference Author H.SCHROEDER,T.NETSCHER
Literature Reference Citation MAGN.RES.CHEM.,39,701(2001)
Literature Reference DOI 10.1002/mrc.927
Molecular Weight 1286.097 g/mol
Solvent Unknown
Source File Reference UWSI24966