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POLYPRENOL-12
SpectraBase Compound ID E2p38agQt5c
InChI InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+
InChIKey BDMCAOBQLHJGBE-GNZYJLLNSA-N
Mol Weight 835.4 g/mol
Molecular Formula C60H98O
Exact Mass 834.761768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56Pjlv47BMr
Name POLYPRENOL-12
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H98O
InChI InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+
InChIKey BDMCAOBQLHJGBE-GNZYJLLNSA-N
Literature Reference Author W.F.REYNOLDS,S.MCLEAN,H.JACOBS,W.W.HARDING
Literature Reference Citation CAN.J.CHEM.,77,1922(1999)
Literature Reference DOI 10.1139/cjc-77-11-1922
Molecular Weight 835.438 g/mol
Solvent C6D6
Source File Reference UWSI523