| SpectraBase Compound ID | 1lfbJpV6h2J |
|---|---|
| InChI | InChI=1S/C20H20BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-5,7,12,14H,6,8-9H2,1-2H3,(H2,23,24,28)/t12-,14+,19+,20+/m1/s1 |
| InChIKey | NUEGQJMGNKKOMK-FINPGKJESA-N |
| Mol Weight | 463.76 g/mol |
| Molecular Formula | C20H20BrClN4O2 |
| Exact Mass | 462.045817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FQ8edxh0VGL |
|---|---|
| Name | SECURAMINE-G |
| Compound Number | 68 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H20BrClN4O2 |
| InChI | InChI=1S/C20H20BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-5,7,12,14H,6,8-9H2,1-2H3,(H2,23,24,28)/t12-,14+,19+,20+/m1/s1 |
| InChIKey | NUEGQJMGNKKOMK-FINPGKJESA-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 | 463.761 g/mol |
| Source File Reference | UWIR6262 |