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Valine, N-methyl-N-ethoxycarbonyl-, octadecyl ester

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Valine, N-methyl-N-ethoxycarbonyl-, octadecyl ester
SpectraBase Compound ID 7d0EuppAYCi
InChI InChI=1S/C27H53NO4/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/h24-25H,6-23H2,1-5H3
InChIKey ABCLHPMXMBEVQA-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID S9PhHTuHYb
Name Valine, N-methyl-N-ethoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/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/h24-25H,6-23H2,1-5H3
InChIKey ABCLHPMXMBEVQA-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCOC(N(C(C(OCCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O