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METHYL-2-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE

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METHYL-2-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE
SpectraBase Compound ID 6MQqQxYi4nv
InChI InChI=1S/C27H25NO6/c1-32-27(31)21-13-8-14-28-24(21)22-15-20(16-33-25(29)18-9-4-2-5-10-18)23(22)17-34-26(30)19-11-6-3-7-12-19/h2-14,20,22-23H,15-17H2,1H3/t20-,22?,23-/m0/s1
InChIKey HLGSZMFGNIZKEN-SLNZLALYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C27H25NO6
Exact Mass 459.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZOHwVbeeYi
Name METHYL-2-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE
Compound Number 16B-IIB
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H25NO6/c1-32-27(31)21-13-8-14-28-24(21)22-15-20(16-33-25(29)18-9-4-2-5-10-18)23(22)17-34-26(30)19-11-6-3-7-12-19/h2-14,20,22-23H,15-17H2,1H3/t20-,22?,23-/m0/s1
InChIKey HLGSZMFGNIZKEN-SLNZLALYSA-N
Literature Reference S.ISHIGAMI,H.TOGO,M.YOKOYAMA J.CHEM.SOC.PERKIN-1,2407(1994)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION