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Alanine, N-methyl-N-butoxycarbonyl-, octadecyl ester

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Alanine, N-methyl-N-butoxycarbonyl-, octadecyl ester
SpectraBase Compound ID GjgewovWuXA
InChI InChI=1S/C27H53NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-26(29)25(3)28(4)27(30)32-23-8-6-2/h25H,5-24H2,1-4H3
InChIKey WKTCBVPDEBXNER-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 AB8Q7FtNuAr
Name Alanine, N-methyl-N-butoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-26(29)25(3)28(4)27(30)32-23-8-6-2/h25H,5-24H2,1-4H3
InChIKey WKTCBVPDEBXNER-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCCCOC(N(C(C(OCCCCCCCCCCCCCCCCCC)=O)C)C)=O