![N-[[(3aR,5S,6aR)-2-keto-6a-methoxy-3,3a,5,6-tetrahydro-1H-furo[4,5-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide](/api/spectrum/42DQkWIkyua/structure.png?h=300&w=458 "N-[[(3aR,5S,6aR)-2-keto-6a-methoxy-3,3a,5,6-tetrahydro-1H-furo[4,5-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide")
| SpectraBase Compound ID | DKBOayL4vVJ |
|---|---|
| InChI | InChI=1S/C12H15BrN4O4/c1-20-12-3-7(21-10(12)16-11(19)17-12)5-15-9(18)8-2-6(13)4-14-8/h2,4,7,10,14H,3,5H2,1H3,(H,15,18)(H2,16,17,19)/t7-,10+,12+/m0/s1 |
| InChIKey | WRJYHSZMHSXLMX-HNBZJPLGSA-N |
| Mol Weight | 359.18 g/mol |
| Molecular Formula | C12H15BrN4O4 |
| Exact Mass | 358.027668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42DQkWIkyua |
|---|---|
| Name | N-[[(3aR,5S,6aR)-2-keto-6a-methoxy-3,3a,5,6-tetrahydro-1H-furo[4,5-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H15BrN4O4 |
| InChI | InChI=1S/C12H15BrN4O4/c1-20-12-3-7(21-10(12)16-11(19)17-12)5-15-9(18)8-2-6(13)4-14-8/h2,4,7,10,14H,3,5H2,1H3,(H,15,18)(H2,16,17,19)/t7-,10+,12+/m0/s1 |
| InChIKey | WRJYHSZMHSXLMX-HNBZJPLGSA-N |
| Literature Reference Author | B.JIANG,J.F.LIU,S.Y.ZHAO |
| Literature Reference Citation | ORG.LETTERS,3,4011(2001) |
| Literature Reference DOI | 10.1021/ol016689+ |
| Molecular Weight | 359.180 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU33992 |