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L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, isohexyl ester
SpectraBase Compound ID 6cwTOxIfRRW
InChI InChI=1S/C17H32ClNO4/c1-13(2)8-6-10-22-16(20)15(12-14(3)4)19(5)17(21)23-11-7-9-18/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKey QGCZEHTXFJPSPR-HNNXBMFYSA-N
Mol Weight 349.9 g/mol
Molecular Formula C17H32ClNO4
Exact Mass 349.201986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39t5ulmcPrc
Name L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.201986210 u
Formula C17H32ClNO4
InChI InChI=1S/C17H32ClNO4/c1-13(2)8-6-10-22-16(20)15(12-14(3)4)19(5)17(21)23-11-7-9-18/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKey QGCZEHTXFJPSPR-HNNXBMFYSA-N
Molecular Weight 349.899 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCl)(C(OCCCC(C)C)=O)[H]