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1,2-Di-0-hexadecanoyl-1,1,2,2-tetradeuterio ethanediol

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1,2-Di-0-hexadecanoyl-1,1,2,2-tetradeuterio ethanediol
SpectraBase Compound ID 5BYQ4TViwge
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/i31D2,32D2
InChIKey IKVCSHRLYCDSFD-BYLFMYFLSA-N
Mol Weight 542.9 g/mol
Molecular Formula C34H622D4O4
Exact Mass 542.521218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQHGi6unvJ2
Name 1,2-di-0-Hexadecanoyl-1,1,2,2-tetradeuterio ethanediol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.521217585 u
Formula C34H62[2D]4O4
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/i31D2,32D2
InChIKey IKVCSHRLYCDSFD-BYLFMYFLSA-N
Molecular Weight 542.922 g/mol
SMILES C(=O)(OC(C(OC(=O)CCCCCCCCCCCCCCC)([2D])[2D])([2D])[2D])CCCCCCCCCCCCCCC