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

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Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptadecyl ester
SpectraBase Compound ID FzU9gYmYAR1
InChI InChI=1S/C30H53NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-26-34-29(32)28(27-23-20-19-21-24-27)31-30(33)35-25-6-4-2/h2,27-28H,3,5-26H2,1H3,(H,31,33)
InChIKey BNUIUVXZSMXONG-UHFFFAOYSA-N
Mol Weight 491.8 g/mol
Molecular Formula C30H53NO4
Exact Mass 491.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59nmVFnDAN3
Name Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.397459187 u
Formula C30H53NO4
InChI InChI=1S/C30H53NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-26-34-29(32)28(27-23-20-19-21-24-27)31-30(33)35-25-6-4-2/h2,27-28H,3,5-26H2,1H3,(H,31,33)
InChIKey BNUIUVXZSMXONG-UHFFFAOYSA-N
Molecular Weight 491.757 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC#C)C(OCCCCCCCCCCCCCCCCC)=O