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L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID 8QxWih7tbxh
InChI InChI=1S/C25H48ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-30-24(28)23(21-22(2)3)27(4)25(29)31-20-17-18-26/h22-23H,5-21H2,1-4H3/t23-/m0/s1
InChIKey MVDLNZRQJDVNGY-QHCPKHFHSA-N
Mol Weight 462.1 g/mol
Molecular Formula C25H48ClNO4
Exact Mass 461.327187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TNfq02K5QG
Name L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.327186726 u
Formula C25H48ClNO4
InChI InChI=1S/C25H48ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-30-24(28)23(21-22(2)3)27(4)25(29)31-20-17-18-26/h22-23H,5-21H2,1-4H3/t23-/m0/s1
InChIKey MVDLNZRQJDVNGY-QHCPKHFHSA-N
Molecular Weight 462.115 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCl)(C(OCCCCCCCCCCCCCC)=O)[H]