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4-Fluorophenyl 4'-octyloxybiphenyl-4-carboxylate

View entire compound with spectra: 2 NMR

4-Fluorophenyl 4'-octyloxybiphenyl-4-carboxylate
SpectraBase Compound ID FHCn17FIqAm
InChI InChI=1S/C27H29FO3/c1-2-3-4-5-6-7-20-30-25-16-12-22(13-17-25)21-8-10-23(11-9-21)27(29)31-26-18-14-24(28)15-19-26/h8-19H,2-7,20H2,1H3
InChIKey LSLHMDMEEQMJOY-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C27H29FO3
Exact Mass 420.210073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AaKp4xLU7J
Name 4-Fluorophenyl 4'-octyloxybiphenyl-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.210072954 u
Formula C27H29FO3
InChI InChI=1S/C27H29FO3/c1-2-3-4-5-6-7-20-30-25-16-12-22(13-17-25)21-8-10-23(11-9-21)27(29)31-26-18-14-24(28)15-19-26/h8-19H,2-7,20H2,1H3
InChIKey LSLHMDMEEQMJOY-UHFFFAOYSA-N
Molecular Weight 420.524 g/mol
SMILES C(Oc1ccc(cc1)F)(c1ccc(cc1)-c1ccc(cc1)OCCCCCCCC)=O