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Hexadecanoic acid, 1,6-hexanediyl ester

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Hexadecanoic acid, 1,6-hexanediyl ester
SpectraBase Compound ID KDbiyLg7M6B
InChI InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37(39)41-35-31-27-28-32-36-42-38(40)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey IBYKYYZAEVHVLS-UHFFFAOYSA-N
Mol Weight 595.0 g/mol
Molecular Formula C38H74O4
Exact Mass 594.558711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67o7t56nB2i
Name Hexadecanoic acid, 1,6-hexanediyl ester
Comments Computed using HOSE algorithm
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Exact Mass 594.558710859 u
Formula C38H74O4
InChI InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37(39)41-35-31-27-28-32-36-42-38(40)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey IBYKYYZAEVHVLS-UHFFFAOYSA-N
Molecular Weight 595.006 g/mol
SMILES CCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCC