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1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl isobutyl ester
SpectraBase Compound ID Jk0KzRDu69k
InChI InChI=1S/C18H23FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChIKey CJXSFEYBDVHQPW-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 4mLyqQA5EmG
Name 1,2-Cyclohexanedicarboxylic acid, 3-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)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChIKey CJXSFEYBDVHQPW-UHFFFAOYSA-N
Molecular Weight 322.376 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=CC(=C1)F)(OCC(C)C)=O