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Glutaric acid, 1,1,1-trifluoroprop-2-yl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl pentachlorophenyl ester
SpectraBase Compound ID 4hAratykVBP
InChI InChI=1S/C14H10Cl5F3O4/c1-5(14(20,21)22)25-6(23)3-2-4-7(24)26-13-11(18)9(16)8(15)10(17)12(13)19/h5H,2-4H2,1H3
InChIKey VTJXBEASAQQTMI-UHFFFAOYSA-N
Mol Weight 476.5 g/mol
Molecular Formula C14H10Cl5F3O4
Exact Mass 473.897382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pTu28uSlRT
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 473.897381787 u
Formula C14H10Cl5F3O4
InChI InChI=1S/C14H10Cl5F3O4/c1-5(14(20,21)22)25-6(23)3-2-4-7(24)26-13-11(18)9(16)8(15)10(17)12(13)19/h5H,2-4H2,1H3
InChIKey VTJXBEASAQQTMI-UHFFFAOYSA-N
Molecular Weight 476.490 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O