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Acetic acid, trichloro-, 3-methylbutyl ester

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Acetic acid, trichloro-, 3-methylbutyl ester
SpectraBase Compound ID 1mnSY31oZCD
InChI InChI=1S/C7H11Cl3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey HBNLTLLITHPMDZ-UHFFFAOYSA-N
Mol Weight 233.52 g/mol
Molecular Formula C7H11Cl3O2
Exact Mass 231.982463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9l9vrLe7cBk
Name Trichloroacetic acid, 3-methyl-butyl ester
CAS Registry Number 57392-55-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey HBNLTLLITHPMDZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Ejchart, Org. Magn. Resonance 13, 368 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3