| SpectraBase Compound ID | IyVMwX4MhkU |
|---|---|
| InChI | InChI=1S/C16H27N2.2ClHO4/c1-12-5-4-7-16-13-9-14(11-18(12)16)15-6-2-3-8-17(15)10-13;2*2-1(3,4)5/h13-16H,2-11H2,1H3;2*(H,2,3,4,5)/q+1;;/p-1/t13-,14-,15-,16+;;/m0../s1 |
| InChIKey | PQQAROFWPOEWMY-JKDWWJKCSA-M |
| Mol Weight | 447.31 g/mol |
| Molecular Formula | C16H28Cl2N2O8 |
| Exact Mass | 446.122271 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 | 9LOL2yhVRvF |
|---|---|
| Name | PQQAROFWPOEWMY-JKDWWJKCSA-M |
| Compound Number | (A-25).2CLO4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H28Cl2N2O8 |
| InChI | InChI=1S/C16H27N2.2ClHO4/c1-12-5-4-7-16-13-9-14(11-18(12)16)15-6-2-3-8-17(15)10-13;2*2-1(3,4)5/h13-16H,2-11H2,1H3;2*(H,2,3,4,5)/q+1;;/p-1/t13-,14-,15-,16+;;/m0../s1 |
| InChIKey | PQQAROFWPOEWMY-JKDWWJKCSA-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 | 447.313 g/mol |
| Solvent | CD3CN |