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4,4,6-Trichloro-2-methyl-hexanoic acid, methyl ester
SpectraBase Compound ID HQVYNpp2L19
InChI InChI=1S/C8H13Cl3O2/c1-6(7(12)13-2)5-8(10,11)3-4-9/h6H,3-5H2,1-2H3
InChIKey XZUSCXSNLDVFHQ-UHFFFAOYSA-N
Mol Weight 247.55 g/mol
Molecular Formula C8H13Cl3O2
Exact Mass 245.998113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzyMLnSNwna
Name 4,4,6-Trichloro-2-methyl-hexanoic acid, methyl ester
CAS Registry Number 49642-23-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13Cl3O2
InChI InChI=1S/C8H13Cl3O2/c1-6(7(12)13-2)5-8(10,11)3-4-9/h6H,3-5H2,1-2H3
InChIKey XZUSCXSNLDVFHQ-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference F.K. Velichko, E.C. Chukovskaya, Org. Magn. Resonance 7, 361 (1975).
NMR Standard CHCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid