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2,2,4-TRICHLOROPENTANOIC ACID METHYLESTER
SpectraBase Compound ID AZyNeJEGld2
InChI InChI=1S/C6H9Cl3O2/c1-4(7)3-6(8,9)5(10)11-2/h4H,3H2,1-2H3
InChIKey JBSMEEFJZCHDHJ-UHFFFAOYSA-N
Mol Weight 219.49 g/mol
Molecular Formula C6H9Cl3O2
Exact Mass 217.966813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzGq3qzeK2W
Name 2,2,4-Trichloro-valeric acid, methyl ester
CAS Registry Number 32819-20-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-4(7)3-6(8,9)5(10)11-2/h4H,3H2,1-2H3
InChIKey JBSMEEFJZCHDHJ-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference A.B. Terentev, V.I. Dostalova, Org. Magn. Resonance 9, 301 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4