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6-(1',3'-DIOXOLAN-2'-YL)-3-(ETHOXYCARBONYL)-4-NITROHEXANOATE-ETHYLESTER
SpectraBase Compound ID AkcqL5eZrSR
InChI InChI=1S/C28H44N2O16/c1-4-39-23(31)17-20(27(34)41-6-3)22(30(37)38)9-10-28(45-15-16-46-28)11-12-42-24(32)18-19(26(33)40-5-2)21(29(35)36)7-8-25-43-13-14-44-25/h19-22,25H,4-18H2,1-3H3
InChIKey IJEFABFMKFEQMM-UHFFFAOYSA-N
Mol Weight 664.7 g/mol
Molecular Formula C28H44N2O16
Exact Mass 664.269083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqjpPV5Scuw
Name 6-(1',3'-DIOXOLAN-2'-YL)-3-(ETHOXYCARBONYL)-4-NITROHEXANOATE-ETHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44N2O16
InChI InChI=1S/C28H44N2O16/c1-4-39-23(31)17-20(27(34)41-6-3)22(30(37)38)9-10-28(45-15-16-46-28)11-12-42-24(32)18-19(26(33)40-5-2)21(29(35)36)7-8-25-43-13-14-44-25/h19-22,25H,4-18H2,1-3H3
InChIKey IJEFABFMKFEQMM-UHFFFAOYSA-N
Literature Reference Author A.HORNI,I.HUBACEK,M.HESSE
Literature Reference Citation HELV.CHIM.ACTA,77,579(1994)
Literature Reference DOI 10.1002/hlca.19940770221
Molecular Weight 664.661 g/mol
Solvent CDCl3
Source File Reference UWVP4011