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Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptyl ester
SpectraBase Compound ID GxsuBqN28Ax
InChI InChI=1S/C20H33NO4/c1-3-5-7-8-12-16-24-19(22)18(17-13-10-9-11-14-17)21-20(23)25-15-6-4-2/h2,17-18H,3,5-16H2,1H3,(H,21,23)
InChIKey OLHGSYROXMESRL-UHFFFAOYSA-N
Mol Weight 351.5 g/mol
Molecular Formula C20H33NO4
Exact Mass 351.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23aSVYp19v8
Name Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.240958543 u
Formula C20H33NO4
InChI InChI=1S/C20H33NO4/c1-3-5-7-8-12-16-24-19(22)18(17-13-10-9-11-14-17)21-20(23)25-15-6-4-2/h2,17-18H,3,5-16H2,1H3,(H,21,23)
InChIKey OLHGSYROXMESRL-UHFFFAOYSA-N
Molecular Weight 351.487 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC#C)C(OCCCCCCC)=O