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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isobutyl ester
SpectraBase Compound ID IpemK59lsyt
InChI InChI=1S/C18H23FO4/c1-12(2)11-22-17(20)13-7-3-4-8-14(13)18(21)23-16-10-6-5-9-15(16)19/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3
InChIKey SXFDBFSFIRVAMI-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 6bQQx5syBlQ
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.158037380 u
Formula C18H23FO4
InChI InChI=1S/C18H23FO4/c1-12(2)11-22-17(20)13-7-3-4-8-14(13)18(21)23-16-10-6-5-9-15(16)19/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3
InChIKey SXFDBFSFIRVAMI-UHFFFAOYSA-N
Molecular Weight 322.376 g/mol
SMILES C1=CC=C(C(=C1)OC(C1CCCCC1C(=O)OCC(C)C)=O)F