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(R)-sec-butyl 3-(4-fluorophenyl)-2-(o-tolyl)propanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(R)-sec-butyl 3-(4-fluorophenyl)-2-(o-tolyl)propanoate
SpectraBase Compound ID 2aI7PRXJL4n
InChI InChI=1S/C20H23FO2/c1-4-15(3)23-20(22)19(18-8-6-5-7-14(18)2)13-16-9-11-17(21)12-10-16/h5-12,15,19H,4,13H2,1-3H3/t15-,19?/m1/s1
InChIKey GYPRHYTWSCYOMS-NYRJJRHWSA-N
Mol Weight 314.4 g/mol
Molecular Formula C20H23FO2
Exact Mass 314.168208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjxzN5BIFOa
Name (R)-sec-Butyl 3-(4-fluorophenyl)-2-o-tolylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 314.168208142 u
Formula C20H23FO2
InChI InChI=1S/C20H23FO2/c1-4-15(3)23-20(22)19(18-8-6-5-7-14(18)2)13-16-9-11-17(21)12-10-16/h5-12,15,19H,4,13H2,1-3H3/t15-,19?/m1/s1
InChIKey GYPRHYTWSCYOMS-NYRJJRHWSA-N
Molecular Weight 314.400 g/mol
SMILES C(C(C=1C(=CC=CC1)C)CC=1C=CC(=CC1)F)(=O)O[C@@](CC)(C)[H]