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Octadecanoic acid, 1,3-propanediyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Octadecanoic acid, 1,3-propanediyl ester
SpectraBase Compound ID JbeBqKN2kAC
InChI InChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey UFASAALQMYZBEM-UHFFFAOYSA-N
Mol Weight 609.0 g/mol
Molecular Formula C39H76O4
Exact Mass 608.574361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgjFeinShFI
Name Octadecanoic acid, 1,3-propanediyl ester
Comments Computed using HOSE algorithm
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Exact Mass 608.574360923 u
Formula C39H76O4
InChI InChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey UFASAALQMYZBEM-UHFFFAOYSA-N
Molecular Weight 609.033 g/mol
SMILES C(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O