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

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, tridecyl ester
SpectraBase Compound ID JQ5IssAiQq1
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-17-20-30-25(28)24(23-18-15-14-16-19-23)27-26(29)31-21-22(2)3/h22-24H,4-21H2,1-3H3,(H,27,29)
InChIKey VUZQXWWSNNYLTH-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnZ8cKAivvh
Name Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-17-20-30-25(28)24(23-18-15-14-16-19-23)27-26(29)31-21-22(2)3/h22-24H,4-21H2,1-3H3,(H,27,29)
InChIKey VUZQXWWSNNYLTH-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCC(C)C)C(OCCCCCCCCCCCCC)=O