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Glutaric acid, 2-fluorophenyl 2,3,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 2-fluorophenyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID 5MfpCUsan0q
InChI InChI=1S/C17H12Cl3FO4/c18-10-8-11(19)17(20)14(9-10)25-16(23)7-3-6-15(22)24-13-5-2-1-4-12(13)21/h1-2,4-5,8-9H,3,6-7H2
InChIKey PLYNOYNGUJQOGJ-UHFFFAOYSA-N
Mol Weight 405.64 g/mol
Molecular Formula C17H12Cl3FO4
Exact Mass 403.97852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wLm1Vpw7Zx
Name Glutaric acid, 2-fluorophenyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.978520125 u
Formula C17H12Cl3FO4
InChI InChI=1S/C17H12Cl3FO4/c18-10-8-11(19)17(20)14(9-10)25-16(23)7-3-6-15(22)24-13-5-2-1-4-12(13)21/h1-2,4-5,8-9H,3,6-7H2
InChIKey PLYNOYNGUJQOGJ-UHFFFAOYSA-N
Molecular Weight 405.636 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O