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

View entire compound with spectra: 1 NMR

Terephthalic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 9tRR4mFlHwV
InChI InChI=1S/C17H19F5O4/c1-2-3-4-5-10-25-14(23)12-6-8-13(9-7-12)15(24)26-11-16(18,19)17(20,21)22/h6-9H,2-5,10-11H2,1H3
InChIKey SXYABEMETNGUAK-UHFFFAOYSA-N
Mol Weight 382.33 g/mol
Molecular Formula C17H19F5O4
Exact Mass 382.12035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JetYpX67nl3
Name Terephthalic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.120349903 u
Formula C17H19F5O4
InChI InChI=1S/C17H19F5O4/c1-2-3-4-5-10-25-14(23)12-6-8-13(9-7-12)15(24)26-11-16(18,19)17(20,21)22/h6-9H,2-5,10-11H2,1H3
InChIKey SXYABEMETNGUAK-UHFFFAOYSA-N
Molecular Weight 382.327 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O