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Trichloroacetic acid, 3-hexyl ester

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Trichloroacetic acid, 3-hexyl ester
SpectraBase Compound ID CFnbNVY70z5
InChI InChI=1S/C8H13Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKey HGXCGZOFPVPMQZ-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 JkO4C8XU99k
Name Trichloroacetic acid, 3-hexyl ester
CAS Registry Number 78031-37-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13Cl3O2
InChI InChI=1S/C8H13Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKey HGXCGZOFPVPMQZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Ejchart, Org. Magn. Resonance 15, 22 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3