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Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester

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Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID G19rdmph0jT
InChI InChI=1S/C14H12Cl3F3O4/c1-7(14(18,19)20)23-12(21)3-2-4-13(22)24-11-6-9(16)8(15)5-10(11)17/h5-7H,2-4H2,1H3
InChIKey BBPGXQGSJUDJEN-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C14H12Cl3F3O4
Exact Mass 405.975326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EymDJphwOmD
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.975326451 u
Formula C14H12Cl3F3O4
InChI InChI=1S/C14H12Cl3F3O4/c1-7(14(18,19)20)23-12(21)3-2-4-13(22)24-11-6-9(16)8(15)5-10(11)17/h5-7H,2-4H2,1H3
InChIKey BBPGXQGSJUDJEN-UHFFFAOYSA-N
Molecular Weight 407.600 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O