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L-Threonine, N-[(2,4-dichlorophenoxy)acetyl]-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

L-Threonine, N-[(2,4-dichlorophenoxy)acetyl]-
SpectraBase Compound ID 6NgIrcFhs1P
InChI InChI=1S/C12H13Cl2NO5/c1-6(16)11(12(18)19)15-10(17)5-20-9-3-2-7(13)4-8(9)14/h2-4,6,11,16H,5H2,1H3,(H,15,17)(H,18,19)
InChIKey IDGWHPMXHYRFME-UHFFFAOYSA-N
Mol Weight 322.14 g/mol
Molecular Formula C12H13Cl2NO5
Exact Mass 321.017078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFN3kj3YUSv
Name L-Threonine, N-[(2,4-dichlorophenoxy)acetyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.017077918 u
Formula C12H13Cl2NO5
InChI InChI=1S/C12H13Cl2NO5/c1-6(16)11(12(18)19)15-10(17)5-20-9-3-2-7(13)4-8(9)14/h2-4,6,11,16H,5H2,1H3,(H,15,17)(H,18,19)
InChIKey IDGWHPMXHYRFME-UHFFFAOYSA-N
Molecular Weight 322.144 g/mol
SMILES C(OC1=C(Cl)C=C(C=C1)Cl)C(N[C@@]([C@@](C)(O)[H])(C(O)=O)[H])=O