| SpectraBase Compound ID | B3nx4h0h05y |
|---|---|
| InChI | InChI=1S/2C19H20N2O.2ClHO4/c2*22-11-12-5-6-14-9-13(12)10-18-19-16(7-8-21(14)18)15-3-1-2-4-17(15)20-19;2*2-1(3,4)5/h2*1-4,7-8,12-14,22H,5-6,9-11H2;2*(H,2,3,4,5)/t2*12-,13-,14+;;/m00../s1 |
| InChIKey | LKYPFWAGJDACMW-JPXMXNKASA-N |
| Mol Weight | 785.68 g/mol |
| Molecular Formula | C38H42Cl2N4O10 |
| Exact Mass | 784.227799 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 | 7OR5Uj5AkDF |
|---|---|
| Name | (+/-)-MELINONINE-E-PERCHLORATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H42Cl2N4O10 |
| InChI | InChI=1S/2C19H20N2O.2ClHO4/c2*22-11-12-5-6-14-9-13(12)10-18-19-16(7-8-21(14)18)15-3-1-2-4-17(15)20-19;2*2-1(3,4)5/h2*1-4,7-8,12-14,22H,5-6,9-11H2;2*(H,2,3,4,5)/t2*12-,13-,14+;;/m00../s1 |
| InChIKey | LKYPFWAGJDACMW-JPXMXNKASA-N |
| Literature Reference Author | J.QUIRANTE,C.ESCOLANO,A.MERINO,J.BONJOCH |
| Literature Reference Citation | J.ORG.CHEM.,63,968(1998) |
| Literature Reference DOI | 10.1021/jo971148c |
| Molecular Weight | 785.678 g/mol |
| Sample ID | 31225 |
| Solvent | CD3OD |