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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl heptyl ester
SpectraBase Compound ID 3OsDnW0TsJY
InChI InChI=1S/C21H29FO4/c1-2-3-4-5-10-15-25-20(23)16-11-6-7-12-17(16)21(24)26-19-14-9-8-13-18(19)22/h8-9,13-14,16-17H,2-7,10-12,15H2,1H3
InChIKey QIUIWYFKVQTRBT-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C21H29FO4
Exact Mass 364.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7xUxZTEdQH
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.204987573 u
Formula C21H29FO4
InChI InChI=1S/C21H29FO4/c1-2-3-4-5-10-15-25-20(23)16-11-6-7-12-17(16)21(24)26-19-14-9-8-13-18(19)22/h8-9,13-14,16-17H,2-7,10-12,15H2,1H3
InChIKey QIUIWYFKVQTRBT-UHFFFAOYSA-N
Molecular Weight 364.457 g/mol
SMILES C1=C(C(=CC=C1)F)OC(C1CCCCC1C(OCCCCCCC)=O)=O