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SECURINE-B

View entire compound with spectra: 2 NMR

SECURINE-B
SpectraBase Compound ID 6oeOyWxoIP9
InChI InChI=1S/C20H19Br2ClN4O/c1-20(2)16(23)9-15-12(11-4-3-10(21)7-14(11)25-15)8-17(28)24-6-5-13-18(20)27-19(22)26-13/h3-7,16,25H,8-9H2,1-2H3,(H,24,28)(H,26,27)/b6-5-
InChIKey VGTRKWHXYRQHNW-WAYWQWQTSA-N
Mol Weight 526.66 g/mol
Molecular Formula C20H19Br2ClN4O
Exact Mass 523.961415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXuakcmAclK
Name SECURINE-B
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19Br2ClN4O
InChI InChI=1S/C20H19Br2ClN4O/c1-20(2)16(23)9-15-12(11-4-3-10(21)7-14(11)25-15)8-17(28)24-6-5-13-18(20)27-19(22)26-13/h3-7,16,25H,8-9H2,1-2H3,(H,24,28)(H,26,27)/b6-5-
InChIKey VGTRKWHXYRQHNW-WAYWQWQTSA-N
Literature Reference Author L.RAHBAEK,U.ANTHONI,C.CHRISTOPHERSEN,P.H.NIELSEN,B.O.PETERSE N
Literature Reference Citation J.ORG.CHEM.,61,887(1996)
Literature Reference DOI 10.1021/jo951527a
Molecular Weight 526.658 g/mol
Solvent DMSO-D6
Source File Reference UWGE1611