| SpectraBase Compound ID | 2zSW4QqEmzT |
|---|---|
| InChI | InChI=1S/C11H12BrN5O/c12-5-4-14-7-6(5)8-11(16-10(13)15-8)2-1-3-17(11)9(7)18/h4,8,14H,1-3H2,(H3,13,15,16)/t8-,11+/m1/s1 |
| InChIKey | YVIYYIINOVTGCN-KCJUWKMLSA-N |
| Mol Weight | 310.16 g/mol |
| Molecular Formula | C11H12BrN5O |
| Exact Mass | 309.022523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sdDNsbUVUq |
|---|---|
| Name | MONOBROMOISOPHAKELLIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H12BrN5O |
| InChI | InChI=1S/C11H12BrN5O/c12-5-4-14-7-6(5)8-11(16-10(13)15-8)2-1-3-17(11)9(7)18/h4,8,14H,1-3H2,(H3,13,15,16)/t8-,11+/m1/s1 |
| InChIKey | YVIYYIINOVTGCN-KCJUWKMLSA-N |
| Literature Reference Author | S.W.MEYER,M.KOECK |
| Literature Reference Citation | J.NAT.PROD.,71,1524(2008) |
| Literature Reference DOI | 10.1021/np8000706 |
| Molecular Weight | 310.153 g/mol |
| Sample ID | 29008 |
| Solvent | DMSO-D6 |