| SpectraBase Compound ID | BR7j60jV7Qm |
|---|---|
| InChI | InChI=1S/C20H18BrClN4O2/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/h3-7,12,14H,8-9H2,1-2H3,(H,24,28)/t12-,14+,19+,20-/m1/s1 |
| InChIKey | JEVYNKSHGQMDPV-QTRFMYMGSA-N |
| Mol Weight | 461.75 g/mol |
| Molecular Formula | C20H18BrClN4O2 |
| Exact Mass | 460.030167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2h5QRugEz2X |
|---|---|
| Name | SECURAMINE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H18BrClN4O2 |
| InChI | InChI=1S/C20H18BrClN4O2/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/h3-7,12,14H,8-9H2,1-2H3,(H,24,28)/t12-,14+,19+,20-/m1/s1 |
| InChIKey | JEVYNKSHGQMDPV-QTRFMYMGSA-N |
| Literature Reference Author | L.RAHBAEK,U.ANTHONI,C.CHRISTOPHERSEN,P.H.NIELSEN,B.O.PETERSE N |
| Literature Reference Citation | J.ORG.CHEM.,61,887(1996) |
| Literature Reference DOI | 10.1021/jo951527a |
| Molecular Weight | 461.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1608 |