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TRANS-4-HYDROXY-3-(6'-METHOXY-2'-BROMOMETHYL-3'-PYRIDYL)-CYCLOHEXAN-1-ONE_ETHYLENE_ACETAL
SpectraBase Compound ID OrbD4S0hG9
InChI InChI=1S/C15H20BrNO4/c1-19-14-3-2-10(12(9-16)17-14)11-8-15(5-4-13(11)18)20-6-7-21-15/h2-3,11,13,18H,4-9H2,1H3/t11-,13+/m0/s1
InChIKey XUUDQPKXXJBNRS-WCQYABFASA-N
Mol Weight 358.23 g/mol
Molecular Formula C15H20BrNO4
Exact Mass 357.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42RMy5lYNyf
Name TRANS-4-HYDROXY-3-(6'-METHOXY-2'-BROMOMETHYL-3'-PYRIDYL)-CYCLOHEXAN-1-ONE_ETHYLENE_ACETAL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20BrNO4
InChI InChI=1S/C15H20BrNO4/c1-19-14-3-2-10(12(9-16)17-14)11-8-15(5-4-13(11)18)20-6-7-21-15/h2-3,11,13,18H,4-9H2,1H3/t11-,13+/m0/s1
InChIKey XUUDQPKXXJBNRS-WCQYABFASA-N
Literature Reference Author V.CAPRIO,J.MANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3151(1998)
Literature Reference DOI 10.1039/a805650a
Molecular Weight 358.232 g/mol
Solvent CDCl3
Source File Reference UWMZ6247