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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl undecyl ester
SpectraBase Compound ID CxovUzepI4S
InChI InChI=1S/C25H37FO4/c1-2-3-4-5-6-7-8-9-14-19-29-24(27)20-15-10-11-16-21(20)25(28)30-23-18-13-12-17-22(23)26/h12-13,17-18,20-21H,2-11,14-16,19H2,1H3
InChIKey ODKBUQDUYAWVPP-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H37FO4
Exact Mass 420.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gx8MwnRnfMc
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.267587830 u
Formula C25H37FO4
InChI InChI=1S/C25H37FO4/c1-2-3-4-5-6-7-8-9-14-19-29-24(27)20-15-10-11-16-21(20)25(28)30-23-18-13-12-17-22(23)26/h12-13,17-18,20-21H,2-11,14-16,19H2,1H3
InChIKey ODKBUQDUYAWVPP-UHFFFAOYSA-N
Molecular Weight 420.565 g/mol
SMILES C1=C(C(=CC=C1)F)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O