| SpectraBase Compound ID | 3Jy0Da7Gzbo |
|---|---|
| InChI | InChI=1S/C20H19ClN4O2/c1-18(2)14(21)10-19-12-9-16(26)24(19)8-7-15-20(18,23-17(27)22-15)25(19)13-6-4-3-5-11(12)13/h3-8,12,14H,9-10H2,1-2H3,(H,23,27)/t12-,14+,19+,20-/m1/s1 |
| InChIKey | LZMXJWKYISEJLS-QTRFMYMGSA-N |
| Mol Weight | 382.85 g/mol |
| Molecular Formula | C20H19ClN4O2 |
| Exact Mass | 382.119654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FU0NmcR5Ppb |
|---|---|
| Name | SECURAMINE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H19ClN4O2 |
| InChI | InChI=1S/C20H19ClN4O2/c1-18(2)14(21)10-19-12-9-16(26)24(19)8-7-15-20(18,23-17(27)22-15)25(19)13-6-4-3-5-11(12)13/h3-8,12,14H,9-10H2,1-2H3,(H,23,27)/t12-,14+,19+,20-/m1/s1 |
| InChIKey | LZMXJWKYISEJLS-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 | 382.849 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1609 |