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

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tetradecyl ester
SpectraBase Compound ID EGTVmS5yfGm
InChI InChI=1S/C27H47NO4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-31-26(29)25(24-20-17-16-18-21-24)28-27(30)32-22-6-4-2/h2,24-25H,3,5-23H2,1H3,(H,28,30)
InChIKey WLQMZWRAIRAYRY-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H47NO4
Exact Mass 449.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4YOM84U3Ca
Name Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.350508993 u
Formula C27H47NO4
InChI InChI=1S/C27H47NO4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-31-26(29)25(24-20-17-16-18-21-24)28-27(30)32-22-6-4-2/h2,24-25H,3,5-23H2,1H3,(H,28,30)
InChIKey WLQMZWRAIRAYRY-UHFFFAOYSA-N
Molecular Weight 449.676 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC#C)C(OCCCCCCCCCCCCCC)=O