| SpectraBase Compound ID | ACMaUEfhPQJ |
|---|---|
| InChI | InChI=1S/C21H28N2.ClHO4/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;2-1(3,4)5/h1-3,7-8,10,17-19,21H,4-6,9,11-15H2;(H,2,3,4,5)/t17-,18-,19+,21-;/m0./s1 |
| InChIKey | UYPRFSLXEBUBMC-VPKVLSHTSA-N |
| Mol Weight | 408.93 g/mol |
| Molecular Formula | C21H29ClN2O4 |
| Exact Mass | 408.181585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdFgvg9JVqV |
|---|---|
| Name | UYPRFSLXEBUBMC-VPKVLSHTSA-N |
| Compound Number | (A-30).CLO4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29ClN2O4 |
| InChI | InChI=1S/C21H28N2.ClHO4/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;2-1(3,4)5/h1-3,7-8,10,17-19,21H,4-6,9,11-15H2;(H,2,3,4,5)/t17-,18-,19+,21-;/m0./s1 |
| InChIKey | UYPRFSLXEBUBMC-VPKVLSHTSA-N |
| 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 | 408.925 g/mol |
| Solvent | CD3CN |