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L-Leucine, N-(2-methoxyethoxycabonyl)-, undecyl ester
SpectraBase Compound ID Do8nmF54da5
InChI InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-26-20(23)19(17-18(2)3)22-21(24)27-16-15-25-4/h18-19H,5-17H2,1-4H3,(H,22,24)
InChIKey DUNLRGCCOOGDOA-UHFFFAOYSA-N
Mol Weight 387.6 g/mol
Molecular Formula C21H41NO5
Exact Mass 387.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9novUEUTrHM
Name L-Leucine, N-(2-methoxyethoxycabonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.298473419 u
Formula C21H41NO5
InChI InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-26-20(23)19(17-18(2)3)22-21(24)27-16-15-25-4/h18-19H,5-17H2,1-4H3,(H,22,24)
InChIKey DUNLRGCCOOGDOA-UHFFFAOYSA-N
Molecular Weight 387.561 g/mol
SMILES COCCOC(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O