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

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester
SpectraBase Compound ID K5yneZ79vY0
InChI InChI=1S/C26H45NO4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-25(28)24(23-19-16-15-17-20-23)27-26(29)31-21-6-4-2/h2,23-24H,3,5-22H2,1H3,(H,27,29)
InChIKey FRFRBYBCDDNNQD-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C26H45NO4
Exact Mass 435.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvjZwtlJbjo
Name Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.334858929 u
Formula C26H45NO4
InChI InChI=1S/C26H45NO4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-25(28)24(23-19-16-15-17-20-23)27-26(29)31-21-6-4-2/h2,23-24H,3,5-22H2,1H3,(H,27,29)
InChIKey FRFRBYBCDDNNQD-UHFFFAOYSA-N
Molecular Weight 435.649 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC#C)C(OCCCCCCCCCCCCC)=O