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Phthalic acid, cyclohexylmethyl 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 3,5-difluorophenyl ester
SpectraBase Compound ID HP68C6wKnyK
InChI InChI=1S/C21H20F2O4/c22-15-10-16(23)12-17(11-15)27-21(25)19-9-5-4-8-18(19)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey SIJDZJQUDUHYLY-UHFFFAOYSA-N
Mol Weight 374.38 g/mol
Molecular Formula C21H20F2O4
Exact Mass 374.132965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1B0l73pR0j
Name Phthalic acid, cyclohexylmethyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.132965446 u
Formula C21H20F2O4
InChI InChI=1S/C21H20F2O4/c22-15-10-16(23)12-17(11-15)27-21(25)19-9-5-4-8-18(19)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey SIJDZJQUDUHYLY-UHFFFAOYSA-N
Molecular Weight 374.384 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC(=CC(=C1)F)F)=O