| SpectraBase Compound ID | 7PUZLf5IeuY |
|---|---|
| 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-QTRFMYMGSA-N |
| Mol Weight | 463.76 g/mol |
| Molecular Formula | C20H20BrClN4O2 |
| Exact Mass | 462.045817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7p7L7hZVP8L |
|---|---|
| Name | SECURAMINE-G |
| Compound Number | 3 |
| 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-QTRFMYMGSA-N |
| Literature Reference Author | L.RAHBAK,C.CHRISTOPHERSEN |
| Literature Reference Citation | J.NAT.PROD.,60,175(1997) |
| Literature Reference DOI | 10.1021/np960602p |
| Molecular Weight | 463.761 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP154 |