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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
SpectraBase Compound ID 4bt0XzQKwHk
InChI InChI=1S/C15H13F7O4/c1-2-7-25-11(23)9-3-5-10(6-4-9)12(24)26-8-13(16,17)14(18,19)15(20,21)22/h3-6H,2,7-8H2,1H3
InChIKey UYBCWJMQBJKFPD-UHFFFAOYSA-N
Mol Weight 390.25 g/mol
Molecular Formula C15H13F7O4
Exact Mass 390.070206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITexBZjx0LL
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.070206036 u
Formula C15H13F7O4
InChI InChI=1S/C15H13F7O4/c1-2-7-25-11(23)9-3-5-10(6-4-9)12(24)26-8-13(16,17)14(18,19)15(20,21)22/h3-6H,2,7-8H2,1H3
InChIKey UYBCWJMQBJKFPD-UHFFFAOYSA-N
Molecular Weight 390.254 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F