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DL-2-AMINO-4,4-DICHLOROBUTYRIC ACID
SpectraBase Compound ID JePKjp57s8H
InChI InChI=1S/2C4H7Cl2NO2.Na/c2*5-3(6)1-2(7)4(8)9;/h2*2-3H,1,7H2,(H,8,9);/q;;+1/p-1
InChIKey MFWNQKFHXQGGES-UHFFFAOYSA-M
Mol Weight 366.0 g/mol
Molecular Formula C8H13Cl4N2NaO4
Exact Mass 363.952712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xIW3S1Rr5s
Name DL-2-AMINO-4,4-DICHLOROBUTYRIC ACID
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 11043-31-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7Cl2NO2
InChI InChI=1S/2C4H7Cl2NO2.Na/c2*5-3(6)1-2(7)4(8)9;/h2*2-3H,1,7H2,(H,8,9);/q;;+1/p-1
InChIKey MFWNQKFHXQGGES-UHFFFAOYSA-M
Melting Point 142-144C (dec.)
Molecular Weight 172.01
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ARMENTOMYCIN, DL-, BUTYRIC ACID, 2-AMINO-4,4-DICHLORO-, DL-,