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1-DODECANOYL-3,5-DI-(TETRADECANOYL)-BENZEN

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1-DODECANOYL-3,5-DI-(TETRADECANOYL)-BENZEN
SpectraBase Compound ID IPWZrSeEImd
InChI InChI=1S/C46H80O3/c1-4-7-10-13-16-19-21-24-27-30-33-36-45(48)42-38-41(44(47)35-32-29-26-23-18-15-12-9-6-3)39-43(40-42)46(49)37-34-31-28-25-22-20-17-14-11-8-5-2/h38-40H,4-37H2,1-3H3
InChIKey NQLKKMULOBLXRT-UHFFFAOYSA-N
Mol Weight 681.1 g/mol
Molecular Formula C46H80O3
Exact Mass 680.610746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwevjZtiZor
Name 1-DODECANOYL-3,5-DI-(TETRADECANOYL)-BENZEN
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H80O3
InChI InChI=1S/C46H80O3/c1-4-7-10-13-16-19-21-24-27-30-33-36-45(48)42-38-41(44(47)35-32-29-26-23-18-15-12-9-6-3)39-43(40-42)46(49)37-34-31-28-25-22-20-17-14-11-8-5-2/h38-40H,4-37H2,1-3H3
InChIKey NQLKKMULOBLXRT-UHFFFAOYSA-N
Literature Reference Author S.C.X.DEALMEIDA,T.L.G.DELEMOS,E.R.SILVEIRA,O.D.L.PESSOA
Literature Reference Citation QUIM.NOVA,28,57(2005)
Literature Reference DOI 10.1590/s0100-40422005000100012
Molecular Weight 681.139 g/mol
Solvent CD3OD
Source File Reference UWBT12208