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3,4,4-TRICHLOR-3-BUTENSAEURE

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3,4,4-TRICHLOR-3-BUTENSAEURE
SpectraBase Compound ID G7yDXQ40i1C
InChI InChI=1S/C4H3Cl3O2/c5-2(4(6)7)1-3(8)9/h1H2,(H,8,9)
InChIKey NYJXHEBDUWGESZ-UHFFFAOYSA-N
Mol Weight 189.42 g/mol
Molecular Formula C4H3Cl3O2
Exact Mass 187.919862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nMyHmQmMW0
Name 3,4,4-TRICHLORO-3-BUTENOIC ACID
Source of Sample W. Kimpenhaus, W. Auf Der Heyde Liebigs Ann. Chem. 1983, 378
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H3Cl3O2
InChI InChI=1S/C4H3Cl3O2/c5-2(4(6)7)1-3(8)9/h1H2,(H,8,9)
InChIKey NYJXHEBDUWGESZ-UHFFFAOYSA-N
Molecular Weight 189.43
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms 3-BUTENOIC ACID, 3,4,4-TRICHLORO-,