| 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 | 537.94068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2V9RFvp0p4N |
|---|---|
| Name | SECURAMINE-E |
| Compound Number | 64 |
| Copyright | Copyright © 2016-2024 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 |