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Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester
SpectraBase Compound ID sC398xKxnM
InChI InChI=1S/C20H17F5O5/c1-10(2)29-12-5-3-4-6-13(12)30-15(27)8-7-14(26)28-9-11-16(21)18(23)20(25)19(24)17(11)22/h3-6,10H,7-9H2,1-2H3
InChIKey WCTHNQBXUOLTIR-UHFFFAOYSA-N
Mol Weight 432.34 g/mol
Molecular Formula C20H17F5O5
Exact Mass 432.099614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eor11IWR8r0
Name Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.099614457 u
Formula C20H17F5O5
InChI InChI=1S/C20H17F5O5/c1-10(2)29-12-5-3-4-6-13(12)30-15(27)8-7-14(26)28-9-11-16(21)18(23)20(25)19(24)17(11)22/h3-6,10H,7-9H2,1-2H3
InChIKey WCTHNQBXUOLTIR-UHFFFAOYSA-N
Molecular Weight 432.343 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)COC(CCC(OC1=C(C=CC=C1)OC(C)C)=O)=O)F)F)F