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

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, dodecyl ester
SpectraBase Compound ID KiLpEXv9r5K
InChI InChI=1S/C25H43NO4/c1-3-5-7-8-9-10-11-12-13-17-21-29-24(27)23(22-18-15-14-16-19-22)26-25(28)30-20-6-4-2/h22-23H,3,5,7-21H2,1-2H3,(H,26,28)
InChIKey NHYKKVTWMPVMSG-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C25H43NO4
Exact Mass 421.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqwCR0u2sT4
Name Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.319208865 u
Formula C25H43NO4
InChI InChI=1S/C25H43NO4/c1-3-5-7-8-9-10-11-12-13-17-21-29-24(27)23(22-18-15-14-16-19-22)26-25(28)30-20-6-4-2/h22-23H,3,5,7-21H2,1-2H3,(H,26,28)
InChIKey NHYKKVTWMPVMSG-UHFFFAOYSA-N
Molecular Weight 421.622 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCC#CC)C(OCCCCCCCCCCCC)=O