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Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester

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Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester
SpectraBase Compound ID KIiGlL6kPvQ
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)40-33-35(34(3)4)41-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKey CNNMPDNLCOCSDC-UHFFFAOYSA-N
Mol Weight 581.0 g/mol
Molecular Formula C37H72O4
Exact Mass 580.543061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBCmKmi9i5f
Name Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.543060794 u
Formula C37H72O4
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)40-33-35(34(3)4)41-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKey CNNMPDNLCOCSDC-UHFFFAOYSA-N
Molecular Weight 580.979 g/mol
SMILES C(OC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)C(C)C