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Phenyl 1,4-bis[3-(trifluoromethyl)phenyl]-2-naphthoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phenyl 1,4-bis[3-(trifluoromethyl)phenyl]-2-naphthoate
SpectraBase Compound ID GWb0QV6ASW9
InChI InChI=1S/C31H18F6O2/c32-30(33,34)21-10-6-8-19(16-21)26-18-27(29(38)39-23-12-2-1-3-13-23)28(25-15-5-4-14-24(25)26)20-9-7-11-22(17-20)31(35,36)37/h1-18H
InChIKey GLDCZZOLTXCNOV-UHFFFAOYSA-N
Mol Weight 536.47 g/mol
Molecular Formula C31H18F6O2
Exact Mass 536.121099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FL4LvqsQVYH
Name Phenyl 1,4-bis[3-(trifluoromethyl)phenyl]-2-naphthoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.121098796 u
Formula C31H18F6O2
InChI InChI=1S/C31H18F6O2/c32-30(33,34)21-10-6-8-19(16-21)26-18-27(29(38)39-23-12-2-1-3-13-23)28(25-15-5-4-14-24(25)26)20-9-7-11-22(17-20)31(35,36)37/h1-18H
InChIKey GLDCZZOLTXCNOV-UHFFFAOYSA-N
Molecular Weight 536.473 g/mol
SMILES C=1(C(=C2C=CC=CC2=C(C1)C=1C=C(C(F)(F)F)C=CC1)C=1C=C(C(F)(F)F)C=CC1)C(OC=1C=CC=CC1)=O