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Phthalic acid, cyclohexyl 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexyl 3,5-difluorophenyl ester
SpectraBase Compound ID DjwN5YyKBtj
InChI InChI=1S/C20H18F2O4/c21-13-10-14(22)12-16(11-13)26-20(24)18-9-5-4-8-17(18)19(23)25-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2
InChIKey JHKCXSCXUOBQRZ-UHFFFAOYSA-N
Mol Weight 360.36 g/mol
Molecular Formula C20H18F2O4
Exact Mass 360.117315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vqIwH7wERD
Name Phthalic acid, cyclohexyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.117315382 u
Formula C20H18F2O4
InChI InChI=1S/C20H18F2O4/c21-13-10-14(22)12-16(11-13)26-20(24)18-9-5-4-8-17(18)19(23)25-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2
InChIKey JHKCXSCXUOBQRZ-UHFFFAOYSA-N
Molecular Weight 360.357 g/mol
SMILES C1(=C(C=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC(=CC(=C1)F)F)=O