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Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester
SpectraBase Compound ID 4wXIik2tD3R
InChI InChI=1S/C21H29FO4/c1-21(2,3)15-11-13-16(14-12-15)25-19(23)9-6-10-20(24)26-18-8-5-4-7-17(18)22/h4-5,7-8,15-16H,6,9-14H2,1-3H3
InChIKey QNOCRVOAUWZSEE-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 IZm0SjLdCrK
Name Glutaric acid, 2-fluorophenyl cis-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.204987573 u
Formula C21H29FO4
InChI InChI=1S/C21H29FO4/c1-21(2,3)15-11-13-16(14-12-15)25-19(23)9-6-10-20(24)26-18-8-5-4-7-17(18)22/h4-5,7-8,15-16H,6,9-14H2,1-3H3
InChIKey QNOCRVOAUWZSEE-UHFFFAOYSA-N
Molecular Weight 364.457 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OC1CCC(C(C)(C)C)CC1)=O