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1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl pentyl ester
SpectraBase Compound ID HD9SQLczrTi
InChI InChI=1S/C19H25FO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h7-9,13,16-17H,2-6,10-12H2,1H3
InChIKey WGKOKCUYGXKFSS-UHFFFAOYSA-N
Mol Weight 336.4 g/mol
Molecular Formula C19H25FO4
Exact Mass 336.173687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6B1KuJnEoX
Name 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.173687444 u
Formula C19H25FO4
InChI InChI=1S/C19H25FO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h7-9,13,16-17H,2-6,10-12H2,1H3
InChIKey WGKOKCUYGXKFSS-UHFFFAOYSA-N
Molecular Weight 336.403 g/mol
SMILES CCCCCOC(C1CCCCC1C(OC1=CC(=CC=C1)F)=O)=O