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SECURAMINE-A

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SECURAMINE-A
SpectraBase Compound ID 3x8I9Z9tKzY
InChI InChI=1S/C20H20BrClN4O/c1-19(2)15(22)10-20-12(11-5-3-4-6-13(11)25-20)9-16(27)26(20)8-7-14-17(19)24-18(21)23-14/h3-8,12,15,25H,9-10H2,1-2H3,(H,23,24)/b8-7-/t12-,15+,20-/m1/s1
InChIKey RIOWJYUGPBYKPY-IKGKZHEQSA-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 KNkGwQIzjVv
Name SECURAMINE-A
Compound Number 60
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20BrClN4O
InChI InChI=1S/C20H20BrClN4O/c1-19(2)15(22)10-20-12(11-5-3-4-6-13(11)25-20)9-16(27)26(20)8-7-14-17(19)24-18(21)23-14/h3-8,12,15,25H,9-10H2,1-2H3,(H,23,24)/b8-7-/t12-,15+,20-/m1/s1
InChIKey RIOWJYUGPBYKPY-IKGKZHEQSA-N
Literature Reference Author P.M.PAULETTI,L.S.CINTRA,C.G.BRAGUINE,A.A.D.S.FILHO,M.L.A.E.S ILVA,W.R.CUNHA
Literature Reference Citation MAR.DRUGS,8,1526(2010)
Literature Reference DOI 10.3390/md8051526
Molecular Weight 447.762 g/mol
Source File Reference UWIR6254