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Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, heptyl ester
SpectraBase Compound ID 8oM7TxFmlYv
InChI InChI=1S/C20H35NO4/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/h4,17-18H,2-3,5-16H2,1H3,(H,21,23)
InChIKey JHPVKIVOWHYXDQ-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C20H35NO4
Exact Mass 353.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uh8zYy4SJ3
Name Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.256608607 u
Formula C20H35NO4
InChI InChI=1S/C20H35NO4/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/h4,17-18H,2-3,5-16H2,1H3,(H,21,23)
InChIKey JHPVKIVOWHYXDQ-UHFFFAOYSA-N
Molecular Weight 353.503 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC=C)C(OCCCCCCC)=O