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L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester
SpectraBase Compound ID JSN4dH5UeUm
InChI InChI=1S/C25H41NO5/c1-5-6-7-8-9-13-16-30-24(27)23(19-21(2)3)26(4)25(28)31-18-17-29-20-22-14-11-10-12-15-22/h10-12,14-15,21,23H,5-9,13,16-20H2,1-4H3/t23-/m0/s1
InChIKey XDAAPJLMJDIPTG-QHCPKHFHSA-N
Mol Weight 435.6 g/mol
Molecular Formula C25H41NO5
Exact Mass 435.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmHLuJlpoq0
Name L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-5-6-7-8-9-13-16-30-24(27)23(19-21(2)3)26(4)25(28)31-18-17-29-20-22-14-11-10-12-15-22/h10-12,14-15,21,23H,5-9,13,16-20H2,1-4H3/t23-/m0/s1
InChIKey XDAAPJLMJDIPTG-QHCPKHFHSA-N
Molecular Weight 435.605 g/mol
SMILES C(C)(C)C[C@@](C(OCCCCCCCC)=O)(N(C)C(=O)OCCOCC1=CC=CC=C1)[H]