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(Z)-3,4,4-TRICHLOR-2-BUTENSAEURE

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(Z)-3,4,4-TRICHLOR-2-BUTENSAEURE
SpectraBase Compound ID L60xjVFAD4m
InChI InChI=1S/C4H3Cl3O2/c5-2(4(6)7)1-3(8)9/h1,4H,(H,8,9)/b2-1+
InChIKey XOUONNUZYYBNIA-OWOJBTEDSA-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 1cqCbLERzdr
Name 3,4,4-Trimethyl-(Z)-2-butenoic acid
CAS Registry Number 85743-69-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H3Cl3O2
InChI InChI=1S/C4H3Cl3O2/c5-2(4(6)7)1-3(8)9/h1,4H,(H,8,9)/b2-1+
InChIKey XOUONNUZYYBNIA-OWOJBTEDSA-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