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dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, octadecyl ester
SpectraBase Compound ID 6d6FGjV98Ve
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-26(29)25(24(3)4)28(5)27(30)31-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3
InChIKey LLHCMBZSFWRQGE-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxZIAPkLc7L
Name dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-26(29)25(24(3)4)28(5)27(30)31-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3
InChIKey LLHCMBZSFWRQGE-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C