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1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester
SpectraBase Compound ID 8SHwdSdvL61
InChI InChI=1S/C18H23FO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKey CZGWOQFCRZVISW-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H23FO4
Exact Mass 322.158037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DC3u5kGodY4
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.158037380 u
Formula C18H23FO4
InChI InChI=1S/C18H23FO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKey CZGWOQFCRZVISW-UHFFFAOYSA-N
Molecular Weight 322.376 g/mol
SMILES C1=CC=C(C(=C1)OC(C1CCCCC1C(=O)OCCCC)=O)F