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GUQUIEJCAUXAPR-OOIHNTNISA-N

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GUQUIEJCAUXAPR-OOIHNTNISA-N
SpectraBase Compound ID 4k3rrEOo5M2
InChI InChI=1S/C31H30Br6N4O10/c1-49-28-19(34)7-14(25(43)23(28)36)9-21(40-47)30(45)38-4-3-13-5-17(32)27(18(33)6-13)51-12-16(42)11-39-31(46)22(41-48)10-15-8-20(35)29(50-2)24(37)26(15)44/h5-8,16,42-44,47-48H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/b40-21-,41-22-
InChIKey GUQUIEJCAUXAPR-OOIHNTNISA-N
Mol Weight 1098.02 g/mol
Molecular Formula C31H30Br6N4O10
Exact Mass 1091.706221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJI8Bwfgpjb
Name GUQUIEJCAUXAPR-OOIHNTNISA-N
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28Br6N4O10
InChI InChI=1S/C31H30Br6N4O10/c1-49-28-19(34)7-14(25(43)23(28)36)9-21(40-47)30(45)38-4-3-13-5-17(32)27(18(33)6-13)51-12-16(42)11-39-31(46)22(41-48)10-15-8-20(35)29(50-2)24(37)26(15)44/h5-8,16,42-44,47-48H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/b40-21-,41-22-
InChIKey GUQUIEJCAUXAPR-OOIHNTNISA-N
Literature Reference Author I.MANCINI,G.GUELLA,P.LABOUTE,C.DEBITUS,F.PIETRA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3121(1993)
Literature Reference DOI 10.1039/p19930003121
Molecular Weight 1096.008 g/mol
Solvent ACETONE-D6
Source File Reference UWRU3571