| SpectraBase Compound ID | JkRz6W2BmEJ |
|---|---|
| InChI | InChI=1S/C12H15BrN4O3/c1-12(5-14-6-16-12)3-9(11(19)20)17-10(18)8-2-7(13)4-15-8/h2,4,6,9,15H,3,5H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t9-,12-/m0/s1 |
| InChIKey | FVXSWNCEYOEDFV-CABZTGNLSA-N |
| Mol Weight | 343.18 g/mol |
| Molecular Formula | C12H15BrN4O3 |
| Exact Mass | 342.032753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZc4MuFckTj |
|---|---|
| Name | ClATHRANIDE-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H15BrN4O3 |
| InChI | InChI=1S/C12H15BrN4O3/c1-12(5-14-6-16-12)3-9(11(19)20)17-10(18)8-2-7(13)4-15-8/h2,4,6,9,15H,3,5H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t9-,12-/m0/s1 |
| InChIKey | FVXSWNCEYOEDFV-CABZTGNLSA-N |
| Literature Reference Author | F.CAFIERI,E.FATTORUSSO,O.TAGLIALATELA-SCAFATI |
| Literature Reference Citation | J.NAT.PROD.,61,122(1998) |
| Literature Reference DOI | 10.1021/np970323h |
| Molecular Weight | 343.180 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP528 |