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dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester
SpectraBase Compound ID 6KfXpnxIZE4
InChI InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h2,23-24H,6,8-22H2,1,3-5H3
InChIKey FZWCZCSEIHCESL-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C26H47NO4
Exact Mass 437.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGOzAmU1tYz
Name dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.350508993 u
Formula C26H47NO4
InChI InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h2,23-24H,6,8-22H2,1,3-5H3
InChIKey FZWCZCSEIHCESL-UHFFFAOYSA-N
Molecular Weight 437.665 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCC)=O)N(C)C(=O)OCCC#C)(C)C