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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl propyl ester
SpectraBase Compound ID 7lbftqX8i7o
InChI InChI=1S/C17H21FO4/c1-2-11-21-16(19)12-7-3-4-8-13(12)17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKey QKUHCCQYWXSVIK-UHFFFAOYSA-N
Mol Weight 308.35 g/mol
Molecular Formula C17H21FO4
Exact Mass 308.142387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0ikIB3h1dN
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 308.142387315 u
Formula C17H21FO4
InChI InChI=1S/C17H21FO4/c1-2-11-21-16(19)12-7-3-4-8-13(12)17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKey QKUHCCQYWXSVIK-UHFFFAOYSA-N
Molecular Weight 308.349 g/mol
SMILES C1=C(C(=CC=C1)F)OC(C1CCCCC1C(OCCC)=O)=O