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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl pentyl ester
SpectraBase Compound ID IwAN0cflQEv
InChI InChI=1S/C19H25FO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h6-7,11-12,14-15H,2-5,8-10,13H2,1H3
InChIKey IVEAVGSPXYRGJS-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 Dx547rH983p
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.173687444 u
Formula C19H25FO4
InChI InChI=1S/C19H25FO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h6-7,11-12,14-15H,2-5,8-10,13H2,1H3
InChIKey IVEAVGSPXYRGJS-UHFFFAOYSA-N
Molecular Weight 336.403 g/mol
SMILES C1=C(C(=CC=C1)F)OC(C1CCCCC1C(OCCCCC)=O)=O