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2,4,4-TRICHLOR-3-BUTENSAEURE

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2,4,4-TRICHLOR-3-BUTENSAEURE
SpectraBase Compound ID 85UqHFhiK0W
InChI InChI=1S/C4H3Cl3O2/c5-2(4(8)9)1-3(6)7/h1-2H,(H,8,9)
InChIKey ORKNKNAYYLGVFA-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 1SvGidN8JZ6
Name 2,4,4-Trimethyl-3-butenoic acid
CAS Registry Number 80262-08-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H3Cl3O2
InChI InChI=1S/C4H3Cl3O2/c5-2(4(8)9)1-3(6)7/h1-2H,(H,8,9)
InChIKey ORKNKNAYYLGVFA-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference W. Kimpenhaus, W. Auf Der Heyde, Liebigs Ann. Chem. 378 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6