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Phthalic acid, cyclohexyl 4-fluoro-2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexyl 4-fluoro-2-nitrophenyl ester
SpectraBase Compound ID AWimE1B3lkq
InChI InChI=1S/C20H18FNO6/c21-13-10-11-18(17(12-13)22(25)26)28-20(24)16-9-5-4-8-15(16)19(23)27-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2
InChIKey JKJPVVRMAYUOPN-UHFFFAOYSA-N
Mol Weight 387.36 g/mol
Molecular Formula C20H18FNO6
Exact Mass 387.111815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hWLDZIRITD
Name Phthalic acid, cyclohexyl 4-fluoro-2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.111815461 u
Formula C20H18FNO6
InChI InChI=1S/C20H18FNO6/c21-13-10-11-18(17(12-13)22(25)26)28-20(24)16-9-5-4-8-15(16)19(23)27-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2
InChIKey JKJPVVRMAYUOPN-UHFFFAOYSA-N
Molecular Weight 387.363 g/mol
SMILES C1CCC(CC1)OC(C1=C(C(OC2=CC=C(C=C2N(=O)=O)F)=O)C=CC=C1)=O