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3-Methylbut-2-enoic acid, 2,2,2-trichloroethyl ester
SpectraBase Compound ID ABIXFR5spgZ
InChI InChI=1S/C7H9Cl3O2/c1-5(2)3-6(11)12-4-7(8,9)10/h3H,4H2,1-2H3
InChIKey FWLIDIYRZQYQEO-UHFFFAOYSA-N
Mol Weight 231.51 g/mol
Molecular Formula C7H9Cl3O2
Exact Mass 229.966813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPkMz41K8UR
Name 3-Methylbut-2-enoic acid, 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 229.966812628 u
Formula C7H9Cl3O2
InChI InChI=1S/C7H9Cl3O2/c1-5(2)3-6(11)12-4-7(8,9)10/h3H,4H2,1-2H3
InChIKey FWLIDIYRZQYQEO-UHFFFAOYSA-N
Molecular Weight 231.506 g/mol
SMILES C(C=C(C)C)(=O)OCC(Cl)(Cl)Cl