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L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
SpectraBase Compound ID 2TTwknCLCti
InChI InChI=1S/C26H51NO4/c1-7-10-12-13-14-15-16-17-19-30-25(28)24(20-22(4)5)27(6)26(29)31-21-23(9-3)18-11-8-2/h22-24H,7-21H2,1-6H3
InChIKey CREQSFVBOIFHIB-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiznZAuaOut
Name L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-7-10-12-13-14-15-16-17-19-30-25(28)24(20-22(4)5)27(6)26(29)31-21-23(9-3)18-11-8-2/h22-24H,7-21H2,1-6H3
InChIKey CREQSFVBOIFHIB-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCCCCCCCC)=O