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L-Leucine, N-methyl-N-(octyloxycarbonyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-methyl-N-(octyloxycarbonyl)-, octyl ester
SpectraBase Compound ID Aiu8An4JBex
InChI InChI=1S/C24H47NO4/c1-6-8-10-12-14-16-18-28-23(26)22(20-21(3)4)25(5)24(27)29-19-17-15-13-11-9-7-2/h21-22H,6-20H2,1-5H3/t22-/m0/s1
InChIKey XUYGVIXUOKOCLF-QFIPXVFZSA-N
Mol Weight 413.6 g/mol
Molecular Formula C24H47NO4
Exact Mass 413.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnP8ksddiol
Name L-Leucine, N-methyl-N-(octyloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-6-8-10-12-14-16-18-28-23(26)22(20-21(3)4)25(5)24(27)29-19-17-15-13-11-9-7-2/h21-22H,6-20H2,1-5H3/t22-/m0/s1
InChIKey XUYGVIXUOKOCLF-QFIPXVFZSA-N
Molecular Weight 413.643 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCCCCC)(C(OCCCCCCCC)=O)[H]