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Octadecanoic acid, docosyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Octadecanoic acid, docosyl ester
SpectraBase Compound ID 2HgNoe7XcPD
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-UHFFFAOYSA-N
Mol Weight 593.1 g/mol
Molecular Formula C40H80O2
Exact Mass 592.615832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fa3EYRXSiHC
Name Octadecanoic acid, docosyl ester
Comments Computed using HOSE algorithm
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Exact Mass 592.615831814 u
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-UHFFFAOYSA-N
Molecular Weight 593.078 g/mol
SMILES C(OCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)=O