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L-Leucine, N-(2-chloroethoxycarbonyl)-, decyl ester
SpectraBase Compound ID 5otHXRXbwKb
InChI InChI=1S/C19H36ClNO4/c1-4-5-6-7-8-9-10-11-13-24-18(22)17(15-16(2)3)21-19(23)25-14-12-20/h16-17H,4-15H2,1-3H3,(H,21,23)
InChIKey ACQFWJRGALBITJ-UHFFFAOYSA-N
Mol Weight 378.0 g/mol
Molecular Formula C19H36ClNO4
Exact Mass 377.233286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eEnvDmiDEf
Name L-Leucine, N-(2-chloroethoxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.233286339 u
Formula C19H36ClNO4
InChI InChI=1S/C19H36ClNO4/c1-4-5-6-7-8-9-10-11-13-24-18(22)17(15-16(2)3)21-19(23)25-14-12-20/h16-17H,4-15H2,1-3H3,(H,21,23)
InChIKey ACQFWJRGALBITJ-UHFFFAOYSA-N
Molecular Weight 377.953 g/mol
SMILES CC(C)CC(NC(OCCCl)=O)C(OCCCCCCCCCC)=O