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L-Isoleucine, N-methoxycarbonyl, 2,2,2-trichloroethyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-methoxycarbonyl, 2,2,2-trichloroethyl ester
SpectraBase Compound ID 38p409T0O4x
InChI InChI=1S/C10H16Cl3NO4/c1-4-6(2)7(14-9(16)17-3)8(15)18-5-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)/t6-,7-/m0/s1
InChIKey CVYHTFRGJQUUIY-BQBZGAKWSA-N
Mol Weight 320.6 g/mol
Molecular Formula C10H16Cl3NO4
Exact Mass 319.014491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9J6zmDed3IQ
Name L-Isoleucine, N-methoxycarbonyl, 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.014491095 u
Formula C10H16Cl3NO4
InChI InChI=1S/C10H16Cl3NO4/c1-4-6(2)7(14-9(16)17-3)8(15)18-5-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)/t6-,7-/m0/s1
InChIKey CVYHTFRGJQUUIY-BQBZGAKWSA-N
Molecular Weight 320.600 g/mol
SMILES [C@]([C@](NC(OC)=O)(C(OCC(Cl)(Cl)Cl)=O)[H])(CC)(C)[H]