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Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

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Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID I11rK3e6iPd
InChI InChI=1S/C14H11F7O4/c1-2-24-10(22)8-3-5-9(6-4-8)11(23)25-7-12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3
InChIKey CQVQIYBTYMVFTO-UHFFFAOYSA-N
Mol Weight 376.23 g/mol
Molecular Formula C14H11F7O4
Exact Mass 376.054556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IwLE1GalEP
Name Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.054555971 u
Formula C14H11F7O4
InChI InChI=1S/C14H11F7O4/c1-2-24-10(22)8-3-5-9(6-4-8)11(23)25-7-12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3
InChIKey CQVQIYBTYMVFTO-UHFFFAOYSA-N
Molecular Weight 376.227 g/mol
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F