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L-Leucine, N-isobutoxycarbonyl-N-methyl-, pentadecyl ester
SpectraBase Compound ID A6qiJ3E5KaW
InChI InChI=1S/C27H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-26(29)25(21-23(2)3)28(6)27(30)32-22-24(4)5/h23-25H,7-22H2,1-6H3
InChIKey IEDXANWFKHOIMY-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 EkpmivE2Y2m
Name L-Leucine, N-isobutoxycarbonyl-N-methyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-26(29)25(21-23(2)3)28(6)27(30)32-22-24(4)5/h23-25H,7-22H2,1-6H3
InChIKey IEDXANWFKHOIMY-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CC(C)COC(N(C(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O