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L-Leucine, N-methyl-N-(octyloxycarbonyl)-, pentyl ester
SpectraBase Compound ID Kk4iPIEoaD
InChI InChI=1S/C21H41NO4/c1-6-8-10-11-12-14-16-26-21(24)22(5)19(17-18(3)4)20(23)25-15-13-9-7-2/h18-19H,6-17H2,1-5H3/t19-/m0/s1
InChIKey FFMMCHGUTRXQBP-IBGZPJMESA-N
Mol Weight 371.6 g/mol
Molecular Formula C21H41NO4
Exact Mass 371.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vKCT5iMX2I
Name L-Leucine, N-methyl-N-(octyloxycarbonyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.303558800 u
Formula C21H41NO4
InChI InChI=1S/C21H41NO4/c1-6-8-10-11-12-14-16-26-21(24)22(5)19(17-18(3)4)20(23)25-15-13-9-7-2/h18-19H,6-17H2,1-5H3/t19-/m0/s1
InChIKey FFMMCHGUTRXQBP-IBGZPJMESA-N
Molecular Weight 371.562 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCCCCC)(C(OCCCCC)=O)[H]