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SECURINE-A

View entire compound with spectra: 2 NMR

SECURINE-A
SpectraBase Compound ID 1wmRxy23Chk
InChI InChI=1S/C20H20BrClN4O/c1-20(2)16(22)10-15-12(11-5-3-4-6-13(11)24-15)9-17(27)23-8-7-14-18(20)26-19(21)25-14/h3-8,16,24H,9-10H2,1-2H3,(H,23,27)(H,25,26)/b8-7-
InChIKey LFJOPHVFJZMZAO-FPLPWBNLSA-N
Mol Weight 447.76 g/mol
Molecular Formula C20H20BrClN4O
Exact Mass 446.050902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdprQ1AuCKV
Name SECURINE-A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20BrClN4O
InChI InChI=1S/C20H20BrClN4O/c1-20(2)16(22)10-15-12(11-5-3-4-6-13(11)24-15)9-17(27)23-8-7-14-18(20)26-19(21)25-14/h3-8,16,24H,9-10H2,1-2H3,(H,23,27)(H,25,26)/b8-7-
InChIKey LFJOPHVFJZMZAO-FPLPWBNLSA-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 447.762 g/mol
Solvent DMSO-D6
Source File Reference UWGE1610