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L-Leucine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Leucine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
SpectraBase Compound ID 4JepCTz0Lwe
InChI InChI=1S/C15H18Cl3NO4/c1-8(2)4-12(15(21)22-3)19-14(20)7-23-13-6-10(17)9(16)5-11(13)18/h5-6,8,12H,4,7H2,1-3H3,(H,19,20)
InChIKey SSNZXKYHEXNAOR-UHFFFAOYSA-N
Mol Weight 382.67 g/mol
Molecular Formula C15H18Cl3NO4
Exact Mass 381.030141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WT57DwT6v6
Name L-Leucine, N-[(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.030141160 u
Formula C15H18Cl3NO4
InChI InChI=1S/C15H18Cl3NO4/c1-8(2)4-12(15(21)22-3)19-14(20)7-23-13-6-10(17)9(16)5-11(13)18/h5-6,8,12H,4,7H2,1-3H3,(H,19,20)
InChIKey SSNZXKYHEXNAOR-UHFFFAOYSA-N
Molecular Weight 382.671 g/mol
SMILES C([C@@](NC(COC1=C(Cl)C=C(C(=C1)Cl)Cl)=O)(CC(C)C)[H])(OC)=O