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Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, dodecyl ester

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Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, dodecyl ester
SpectraBase Compound ID BGAnQXkfhj7
InChI InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-16-19-29-24(27)23(22-17-14-13-15-18-22)26-25(28)30-20-21(2)3/h21-23H,4-20H2,1-3H3,(H,26,28)
InChIKey YUPFHWKTPCHKKT-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 BiNAKFJgngj
Name Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.350508993 u
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-16-19-29-24(27)23(22-17-14-13-15-18-22)26-25(28)30-20-21(2)3/h21-23H,4-20H2,1-3H3,(H,26,28)
InChIKey YUPFHWKTPCHKKT-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCC(C)C)C(OCCCCCCCCCCCC)=O