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

View entire compound with spectra: 1 NMR

Terephthalic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 42Yu0y67hK2
InChI InChI=1S/C18H21F5O4/c1-2-3-4-5-6-11-26-15(24)13-7-9-14(10-8-13)16(25)27-12-17(19,20)18(21,22)23/h7-10H,2-6,11-12H2,1H3
InChIKey SHHLMRNRBRZARP-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C18H21F5O4
Exact Mass 396.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bbc7sYuwlf
Name Terephthalic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.135999967 u
Formula C18H21F5O4
InChI InChI=1S/C18H21F5O4/c1-2-3-4-5-6-11-26-15(24)13-7-9-14(10-8-13)16(25)27-12-17(19,20)18(21,22)23/h7-10H,2-6,11-12H2,1H3
InChIKey SHHLMRNRBRZARP-UHFFFAOYSA-N
Molecular Weight 396.354 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O