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Carbonic acid, propargyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID 6TDw1J6QeA
InChI InChI=1S/C6H5Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h1H,3-4H2
InChIKey PNBDJMWCYXLBCY-UHFFFAOYSA-N
Mol Weight 231.46 g/mol
Molecular Formula C6H5Cl3O3
Exact Mass 229.930427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6R4XKE9CFt
Name Carbonic acid, propargyl 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 229.930427118 u
Formula C6H5Cl3O3
InChI InChI=1S/C6H5Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h1H,3-4H2
InChIKey PNBDJMWCYXLBCY-UHFFFAOYSA-N
SMILES C(C(Cl)(Cl)Cl)OC(=O)OCC#C