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(5E,5BE)-[5C-(4-NITROPHENYL)]-5A-ETHENYLBICYCLOMYCIN

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(5E,5BE)-[5C-(4-NITROPHENYL)]-5A-ETHENYLBICYCLOMYCIN
SpectraBase Compound ID 2BIxx0JamL6
InChI InChI=1S/C20H23N3O9/c1-18(28,11-24)15(25)20-17(27)21-19(29,16(26)22-20)13(9-10-32-20)4-2-3-12-5-7-14(8-6-12)23(30)31/h2-8,15,24-25,28-29H,9-11H2,1H3,(H,21,27)(H,22,26)/b3-2+,13-4+/t15?,18?,19-,20+/m0/s1
InChIKey FIYOWTIWLAISHV-PILPBMSXSA-N
Mol Weight 449.42 g/mol
Molecular Formula C20H23N3O9
Exact Mass 449.143429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1o4MYqy61fm
Name (5E,5BE)-[5C-(4-NITROPHENYL)]-5A-ETHENYLBICYCLOMYCIN
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23N3O9
InChI InChI=1S/C20H23N3O9/c1-18(28,11-24)15(25)20-17(27)21-19(29,16(26)22-20)13(9-10-32-20)4-2-3-12-5-7-14(8-6-12)23(30)31/h2-8,15,24-25,28-29H,9-11H2,1H3,(H,21,27)(H,22,26)/b3-2+,13-4+/t15?,18?,19-,20+/m0/s1
InChIKey FIYOWTIWLAISHV-PILPBMSXSA-N
Literature Reference Author F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,66,2251(2001)
Literature Reference DOI 10.1021/jo0013150
Molecular Weight 449.417 g/mol
Solvent CD3OD
Source File Reference UWLU26257