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Phenyl 4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-2-naphthoate
SpectraBase Compound ID CnhwmpV1tqU
InChI InChI=1S/C32H23F3O4/c1-37-28-17-14-21(18-29(28)38-2)26-19-27(31(36)39-23-8-4-3-5-9-23)30(25-11-7-6-10-24(25)26)20-12-15-22(16-13-20)32(33,34)35/h3-19H,1-2H3
InChIKey QCCKQYPUDVAOPK-UHFFFAOYSA-N
Mol Weight 528.5 g/mol
Molecular Formula C32H23F3O4
Exact Mass 528.154844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYEhWIcdJwy
Name Phenyl 4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-2-naphthoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.154843706 u
Formula C32H23F3O4
InChI InChI=1S/C32H23F3O4/c1-37-28-17-14-21(18-29(28)38-2)26-19-27(31(36)39-23-8-4-3-5-9-23)30(25-11-7-6-10-24(25)26)20-12-15-22(16-13-20)32(33,34)35/h3-19H,1-2H3
InChIKey QCCKQYPUDVAOPK-UHFFFAOYSA-N
Molecular Weight 528.527 g/mol
SMILES C=1(C(=C2C=CC=CC2=C(C1)C=1C=C(OC)C(=CC1)OC)C=1C=CC(C(F)(F)F)=CC1)C(OC=1C=CC=CC1)=O