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Succinic acid, 4-isopropylphenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-isopropylphenyl pentafluorobenzyl ester
SpectraBase Compound ID EURsrQ2yRyq
InChI InChI=1S/C20H17F5O4/c1-10(2)11-3-5-12(6-4-11)29-15(27)8-7-14(26)28-9-13-16(21)18(23)20(25)19(24)17(13)22/h3-6,10H,7-9H2,1-2H3
InChIKey KUGCDOLBKKHYDL-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C20H17F5O4
Exact Mass 416.1047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqrVMqtoT7Q
Name Succinic acid, 4-isopropylphenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.104699838 u
Formula C20H17F5O4
InChI InChI=1S/C20H17F5O4/c1-10(2)11-3-5-12(6-4-11)29-15(27)8-7-14(26)28-9-13-16(21)18(23)20(25)19(24)17(13)22/h3-6,10H,7-9H2,1-2H3
InChIKey KUGCDOLBKKHYDL-UHFFFAOYSA-N
Molecular Weight 416.344 g/mol
SMILES CC(C1=CC=C(C=C1)OC(CCC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C