John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KeY7VbcN6Mp SpectraBase Spectrum ID=2V9RFvp0p4N

(accessed ).
SECURAMINE-E
SpectraBase Compound ID KeY7VbcN6Mp
InChI InChI=1S/C20H17Br2ClN4O2/c1-18(2)13(23)8-19-10-7-15(28)26(19)4-3-14-20(18,25-17(29)24-14)27(19)12-6-9(21)5-11(22)16(10)12/h3-6,10,13H,7-8H2,1-2H3,(H,25,29)/t10-,13+,19+,20+/m1/s1
InChIKey KEXODAJSSVPALY-XMGKIJQOSA-N
Mol Weight 540.64 g/mol
Molecular Formula C20H17Br2ClN4O2
Exact Mass 537.940676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V9RFvp0p4N
Name SECURAMINE-E
Compound Number 64
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17Br2ClN4O2
InChI InChI=1S/C20H17Br2ClN4O2/c1-18(2)13(23)8-19-10-7-15(28)26(19)4-3-14-20(18,25-17(29)24-14)27(19)12-6-9(21)5-11(22)16(10)12/h3-6,10,13H,7-8H2,1-2H3,(H,25,29)/t10-,13+,19+,20+/m1/s1
InChIKey KEXODAJSSVPALY-XMGKIJQOSA-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 540.642 g/mol
Source File Reference UWIR6258
SpectraBase Batch ID 2cIG5YM6GPC