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Oleyl behenate

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Oleyl behenate
SpectraBase Compound ID 9eL1PCVdyrF
InChI InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3/b20-18-
InChIKey AOXNDJKHXBKZBT-ZZEZOPTASA-N
Mol Weight 591.1 g/mol
Molecular Formula C40H78O2
Exact Mass 590.600182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrsnwtMWFEM
Name Oleyl behenate
Comments Computed using HOSE algorithm
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Exact Mass 590.600181750 u
Formula C40H78O2
InChI InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3/b20-18-
InChIKey AOXNDJKHXBKZBT-ZZEZOPTASA-N
Molecular Weight 591.062 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCC\C=C/CCCCCCCC