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5,7'-DI-(4-BrOMOBENZOYL)-SCHUMANNIFICINE
SpectraBase Compound ID GRInhnb8nuV
InChI InChI=1S/C30H21Br2NO8/c1-14-12-20(34)25-22(39-28(36)15-2-6-17(31)7-3-15)13-21-23(26(25)38-14)19-10-11-33-27(35)24(19)30(40-21)41-29(37)16-4-8-18(32)9-5-16/h2-9,12-13,19,24,30H,10-11H2,1H3,(H,33,35)/t19-,24+,30?/m1/s1
InChIKey XFNUPQYATYTKNF-SKOIZEAASA-N
Mol Weight 683.3 g/mol
Molecular Formula C30H21Br2NO8
Exact Mass 680.963393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FqlbN0ZIb2
Name 5,7'-DI-(4-BrOMOBENZOYL)-SCHUMANNIFICINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H21Br2NO8
InChI InChI=1S/C30H21Br2NO8/c1-14-12-20(34)25-22(39-28(36)15-2-6-17(31)7-3-15)13-21-23(26(25)38-14)19-10-11-33-27(35)24(19)30(40-21)41-29(37)16-4-8-18(32)9-5-16/h2-9,12-13,19,24,30H,10-11H2,1H3,(H,33,35)/t19-,24+,30?/m1/s1
InChIKey XFNUPQYATYTKNF-SKOIZEAASA-N
Literature Reference Author P.J.HOUGHTON,I.M.OSIBOGUN,T.Z.WOLDEMARIAM,K.JONES
Literature Reference Citation PLANTA.MED.,61,154(1995)
Literature Reference DOI 10.1055/s-2006-958037
Molecular Weight 683.307 g/mol
Solvent CDCl3
Source File Reference UIAP665