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L-Leucine, N-(2-chloroethoxycarbonyl)-N-methyl-, undecyl ester
SpectraBase Compound ID A4ot1JEeVut
InChI InChI=1S/C21H40ClNO4/c1-5-6-7-8-9-10-11-12-13-15-26-20(24)19(17-18(2)3)23(4)21(25)27-16-14-22/h18-19H,5-17H2,1-4H3
InChIKey GUCUESFVEZTDTJ-UHFFFAOYSA-N
Mol Weight 406.0 g/mol
Molecular Formula C21H40ClNO4
Exact Mass 405.264586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GvwHPYGg2e
Name L-Leucine, N-(2-chloroethoxycarbonyl)-N-methyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.264586468 u
Formula C21H40ClNO4
InChI InChI=1S/C21H40ClNO4/c1-5-6-7-8-9-10-11-12-13-15-26-20(24)19(17-18(2)3)23(4)21(25)27-16-14-22/h18-19H,5-17H2,1-4H3
InChIKey GUCUESFVEZTDTJ-UHFFFAOYSA-N
Molecular Weight 406.007 g/mol
SMILES CCCCCCCCCCCOC(C(N(C(OCCCl)=O)C)CC(C)C)=O