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4,4,4-TRICHLOR-2-BUTENSAEUREMETHYLESTER

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4,4,4-TRICHLOR-2-BUTENSAEUREMETHYLESTER
SpectraBase Compound ID 6dZ2kX5LYBs
InChI InChI=1S/C5H5Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChIKey PTQHHFNTRMFDLV-NSCUHMNNSA-N
Mol Weight 203.45 g/mol
Molecular Formula C5H5Cl3O2
Exact Mass 201.935512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSZuUNPHexc
Name 4,4,4-TRICHLOROCROTONIC ACID, METHYL ESTER
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 C5H5Cl3O2
InChI InChI=1S/C5H5Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChIKey PTQHHFNTRMFDLV-NSCUHMNNSA-N
Molecular Weight 203.45
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms CROTONIC ACID, 4,4,4-TRICHLORO-, METHYL ESTER