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(3R*,5S*,6S*)-1,7-DIOXA-SPIRO-[5.5]-UNDECANE-3,5-DIYL-BIS-(3,5-DINITROBENZOATE)

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(3R*,5S*,6S*)-1,7-DIOXA-SPIRO-[5.5]-UNDECANE-3,5-DIYL-BIS-(3,5-DINITROBENZOATE)
SpectraBase Compound ID 5FxYqAqlUoU
InChI InChI=1S/C23H20N4O14/c28-21(13-5-15(24(30)31)9-16(6-13)25(32)33)40-19-11-20(23(39-12-19)3-1-2-4-38-23)41-22(29)14-7-17(26(34)35)10-18(8-14)27(36)37/h5-10,19-20H,1-4,11-12H2/t19-,20+,23-/m1/s1
InChIKey SUYQNDWZTRSYMW-ZRCGQRJVSA-N
Mol Weight 576.43 g/mol
Molecular Formula C23H20N4O14
Exact Mass 576.097601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaDAwHiSrly
Name (3R*,5S*,6S*)-1,7-DIOXA-SPIRO-[5.5]-UNDECANE-3,5-DIYL-BIS-(3,5-DINITROBENZOATE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20N4O14
InChI InChI=1S/C23H20N4O14/c28-21(13-5-15(24(30)31)9-16(6-13)25(32)33)40-19-11-20(23(39-12-19)3-1-2-4-38-23)41-22(29)14-7-17(26(34)35)10-18(8-14)27(36)37/h5-10,19-20H,1-4,11-12H2/t19-,20+,23-/m1/s1
InChIKey SUYQNDWZTRSYMW-ZRCGQRJVSA-N
Literature Reference Author M.A.BRIMBLE,A.D.JOHNSTON
Literature Reference Citation MOLECULES,2,M18(1997)
Literature Reference DOI 10.3390/m18
Molecular Weight 576.430 g/mol
Solvent CDCl3
Source File Reference UWVN7052