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Terephthalic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester

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Terephthalic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester
SpectraBase Compound ID 460d7ECGoVA
InChI InChI=1S/C16H17F5O4/c1-2-3-4-9-24-13(22)11-5-7-12(8-6-11)14(23)25-10-15(17,18)16(19,20)21/h5-8H,2-4,9-10H2,1H3
InChIKey SUVYUVYOFPBVJJ-UHFFFAOYSA-N
Mol Weight 368.3 g/mol
Molecular Formula C16H17F5O4
Exact Mass 368.1047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JyTQN6ERXb
Name Terephthalic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.104699838 u
Formula C16H17F5O4
InChI InChI=1S/C16H17F5O4/c1-2-3-4-9-24-13(22)11-5-7-12(8-6-11)14(23)25-10-15(17,18)16(19,20)21/h5-8H,2-4,9-10H2,1H3
InChIKey SUVYUVYOFPBVJJ-UHFFFAOYSA-N
Molecular Weight 368.300 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O