| SpectraBase Compound ID | 5AftmbO7yqq |
|---|---|
| InChI | InChI=1S/C21H29N2.2ClHO4/c1-2-7-16(8-3-1)20-10-6-11-21-17-13-18(15-23(20)21)19-9-4-5-12-22(19)14-17;2*2-1(3,4)5/h1-3,7-8,17-19,21H,4-6,9-15H2;2*(H,2,3,4,5)/q+1;;/p-1/t17-,18-,19-,21+;;/m0../s1 |
| InChIKey | WJMFUBMDKYQFAH-NRLVCSLMSA-M |
| Mol Weight | 509.38 g/mol |
| Molecular Formula | C21H30Cl2N2O8 |
| Exact Mass | 508.137921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Hgbni6Cae1 |
|---|---|
| Name | WJMFUBMDKYQFAH-NRLVCSLMSA-M |
| Compound Number | (A-26).2CLO4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30Cl2N2O8 |
| InChI | InChI=1S/C21H29N2.2ClHO4/c1-2-7-16(8-3-1)20-10-6-11-21-17-13-18(15-23(20)21)19-9-4-5-12-22(19)14-17;2*2-1(3,4)5/h1-3,7-8,17-19,21H,4-6,9-15H2;2*(H,2,3,4,5)/q+1;;/p-1/t17-,18-,19-,21+;;/m0../s1 |
| InChIKey | WJMFUBMDKYQFAH-NRLVCSLMSA-M |
| Literature Reference Author | B.MIKHOVA,H.DUDDECK |
| Literature Reference Citation | MAGN.RES.CHEM.,36,779(1998) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(1998110)36:11<779::aid-omr374>3.3.co;2-r |
| Molecular Weight | 509.384 g/mol |
| Solvent | CD3CN |