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L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester
SpectraBase Compound ID 1fKWg0w6Eff
InChI InChI=1S/C27H53NO4/c1-7-10-12-13-14-15-16-17-18-20-31-26(29)25(21-23(4)5)28(6)27(30)32-22-24(9-3)19-11-8-2/h23-25H,7-22H2,1-6H3
InChIKey ZCNAHFCUZWTEGU-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 HbtRlf9e10J
Name L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-7-10-12-13-14-15-16-17-18-20-31-26(29)25(21-23(4)5)28(6)27(30)32-22-24(9-3)19-11-8-2/h23-25H,7-22H2,1-6H3
InChIKey ZCNAHFCUZWTEGU-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCCCCCCCCC)=O