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METHYL-6-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE

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METHYL-6-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE
SpectraBase Compound ID FymOyBqnfL2
InChI InChI=1S/C27H25NO6/c1-32-25(29)20-12-13-24(28-15-20)22-14-21(16-33-26(30)18-8-4-2-5-9-18)23(22)17-34-27(31)19-10-6-3-7-11-19/h2-13,15,21-23H,14,16-17H2,1H3/t21-,22?,23-/m0/s1
InChIKey RKYRANZASXUBKV-LIMDNCRJSA-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 d3CAwqKuYy
Name METHYL-6-[2,3-BIS-(BENZOYLOXYMETHYL)-CYCLOBUTYL]-NICOTINATE
Compound Number 16B-IIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H25NO6/c1-32-25(29)20-12-13-24(28-15-20)22-14-21(16-33-26(30)18-8-4-2-5-9-18)23(22)17-34-27(31)19-10-6-3-7-11-19/h2-13,15,21-23H,14,16-17H2,1H3/t21-,22?,23-/m0/s1
InChIKey RKYRANZASXUBKV-LIMDNCRJSA-N
Literature Reference J.CHEM.SOC.PERKIN-1,2407(1994) S.ISHIGAMI,H.TOGO,M.YOKOYAMA
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION