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2-EXO-(METHOXYMETHYL)-1,4-DIMETHYL-4-ENDO-HYDROXY-8-OXA-3-SELENA-BICYClO-[3.2.1]-OCTYL_3,5-DINITROBENZOATE
SpectraBase Compound ID KWc05pnHYKt
InChI InChI=1S/C18H22N2O8Se/c1-17-5-4-14(28-17)18(2,29-15(17)9-26-3)10-27-16(21)11-6-12(19(22)23)8-13(7-11)20(24)25/h6-8,14-15H,4-5,9-10H2,1-3H3/t14-,15-,17+,18+/m1/s1
InChIKey RTHFXJFGXDJYSO-LMSBXDPUSA-N
Mol Weight 473.35 g/mol
Molecular Formula C18H22N2O8Se
Exact Mass 474.054138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUYwePB1nuB
Name 2-EXO-(METHOXYMETHYL)-1,4-DIMETHYL-4-ENDO-HYDROXY-8-OXA-3-SELENA-BICYClO-[3.2.1]-OCTYL_3,5-DINITROBENZOATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O8Se
InChI InChI=1S/C18H22N2O8Se/c1-17-5-4-14(28-17)18(2,29-15(17)9-26-3)10-27-16(21)11-6-12(19(22)23)8-13(7-11)20(24)25/h6-8,14-15H,4-5,9-10H2,1-3H3/t14-,15-,17+,18+/m1/s1
InChIKey RTHFXJFGXDJYSO-LMSBXDPUSA-N
Literature Reference Author A.SANFELICIANO,M.MEDARDE,J.L.LOPEZ,M.A.SALINERO,M.L.RODRIGUE Z
Literature Reference Citation J.ORG.CHEM.,58,7942(1993)
Literature Reference DOI 10.1021/jo00079a052
Molecular Weight 473.341 g/mol
Solvent CDCl3
Source File Reference UWMZ1633