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

View entire compound with spectra: 1 NMR

Succinic acid, 1,1,1-trifluoroprop-2-yl pentachlorophenyl ester
SpectraBase Compound ID 46ZgB2CVzAI
InChI InChI=1S/C13H8Cl5F3O4/c1-4(13(19,20)21)24-5(22)2-3-6(23)25-12-10(17)8(15)7(14)9(16)11(12)18/h4H,2-3H2,1H3
InChIKey FRWALXJVJAHYSR-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C13H8Cl5F3O4
Exact Mass 459.881732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Qk6sjcZLLA
Name Succinic acid, 1,1,1-trifluoroprop-2-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.881731723 u
Formula C13H8Cl5F3O4
InChI InChI=1S/C13H8Cl5F3O4/c1-4(13(19,20)21)24-5(22)2-3-6(23)25-12-10(17)8(15)7(14)9(16)11(12)18/h4H,2-3H2,1H3
InChIKey FRWALXJVJAHYSR-UHFFFAOYSA-N
Molecular Weight 462.463 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O