![(5E,5BZ)-[5C-IODO]-5A-ETHENYLBICYCLOMYCIN](/api/spectrum/BWWWVmN7oKy/structure.png?h=300&w=458 "(5E,5BZ)-[5C-IODO]-5A-ETHENYLBICYCLOMYCIN")
| SpectraBase Compound ID | 2wnIMVlzqD4 |
|---|---|
| InChI | InChI=1S/C14H19IN2O7/c1-12(22,7-18)9(19)14-11(21)16-13(23,10(20)17-14)8(3-2-5-15)4-6-24-14/h2-3,5,9,18-19,22-23H,4,6-7H2,1H3,(H,16,21)(H,17,20)/b5-2-,8-3+/t9?,12?,13-,14+/m0/s1 |
| InChIKey | RSRLBZYZFVVCSN-OPPKVKPISA-N |
| Mol Weight | 454.22 g/mol |
| Molecular Formula | C14H19IN2O7 |
| Exact Mass | 454.023696 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWWWVmN7oKy |
|---|---|
| Name | (5E,5BZ)-[5C-IODO]-5A-ETHENYLBICYCLOMYCIN |
| Compound Number | 1 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H19IN2O7 |
| InChI | InChI=1S/C14H19IN2O7/c1-12(22,7-18)9(19)14-11(21)16-13(23,10(20)17-14)8(3-2-5-15)4-6-24-14/h2-3,5,9,18-19,22-23H,4,6-7H2,1H3,(H,16,21)(H,17,20)/b5-2-,8-3+/t9?,12?,13-,14+/m0/s1 |
| InChIKey | RSRLBZYZFVVCSN-OPPKVKPISA-N |
| Literature Reference Author | F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,66,2251(2001) |
| Literature Reference DOI | 10.1021/jo0013150 |
| Molecular Weight | 454.219 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26276 |