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Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, octyl ester

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Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, octyl ester
SpectraBase Compound ID DdF6TVq2EuF
InChI InChI=1S/C25H47NO4/c1-3-5-7-9-11-16-20-29-24(27)23(22-18-14-13-15-19-22)26-25(28)30-21-17-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3,(H,26,28)
InChIKey MEPQIYSASSPJKU-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C25H47NO4
Exact Mass 425.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XzCNvyLxym
Name Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.350508993 u
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-3-5-7-9-11-16-20-29-24(27)23(22-18-14-13-15-19-22)26-25(28)30-21-17-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3,(H,26,28)
InChIKey MEPQIYSASSPJKU-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCCCCCCC)C(OCCCCCCCC)=O