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Biphenyl-4-carboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Biphenyl-4-carboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 2clesXWSHMx
InChI InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)10-26-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey BVPVLKUMJIXWLH-UHFFFAOYSA-N
Mol Weight 380.26 g/mol
Molecular Formula C17H11F7O2
Exact Mass 380.064727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RXbtYxntNB
Name Biphenyl-4-carboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.064726733 u
Formula C17H11F7O2
InChI InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)10-26-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey BVPVLKUMJIXWLH-UHFFFAOYSA-N
Molecular Weight 380.262 g/mol
SMILES C1=C(C=CC(=C1)C1=CC=CC=C1)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F