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Palmitic acid diethanolamide, 2O-tms
SpectraBase Compound ID F9747Q2hXYl
InChI InChI=1S/C26H57NO3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24-29-31(2,3)4)23-25-30-32(5,6)7/h8-25H2,1-7H3
InChIKey CLMGHDDNKKFYNT-UHFFFAOYSA-N
Mol Weight 487.9 g/mol
Molecular Formula C26H57NO3Si2
Exact Mass 487.387698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17eW2Di1tpi
Name Palmitic acid diethanolamide, 2O-tms
Comments Computed using HOSE algorithm
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Exact Mass 487.387697766 u
Formula C26H57NO3Si2
InChI InChI=1S/C26H57NO3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24-29-31(2,3)4)23-25-30-32(5,6)7/h8-25H2,1-7H3
InChIKey CLMGHDDNKKFYNT-UHFFFAOYSA-N
Molecular Weight 487.916 g/mol
SMILES C(CCCCCCCCCCCCCCC)(=O)N(CCO[Si](C)(C)C)CCO[Si](C)(C)C