| SpectraBase Compound ID | 8MyQs5LGEd7 |
|---|---|
| InChI | InChI=1S/C14H15Br2N5O3/c15-9-3-7(4-10(16)12(9)22)5-11(21-24)13(23)18-2-1-8-6-19-14(17)20-8/h3-4,6,22,24H,1-2,5H2,(H,18,23)(H3,17,19,20)/b21-11- |
| InChIKey | ZIGQUWCQGGSMQA-NHDPSOOVSA-N |
| Mol Weight | 461.11 g/mol |
| Molecular Formula | C14H15Br2N5O3 |
| Exact Mass | 458.954165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbzWdSw0yfM |
|---|---|
| Name | PUREALIDIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H14Br2N5O3 |
| InChI | InChI=1S/C14H15Br2N5O3/c15-9-3-7(4-10(16)12(9)22)5-11(21-24)13(23)18-2-1-8-6-19-14(17)20-8/h3-4,6,22,24H,1-2,5H2,(H,18,23)(H3,17,19,20)/b21-11- |
| InChIKey | ZIGQUWCQGGSMQA-NHDPSOOVSA-N |
| Literature Reference Author | J.KOBAYASHI,K.HONMA,M.TSUDA,T.KOSAKA |
| Literature Reference Citation | J.NAT.PROD.,58,467(1995) |
| Literature Reference DOI | 10.1021/np50117a022 |
| Molecular Weight | 460.105 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMR3 |