| SpectraBase Compound ID | FSPRvXyXRWz |
|---|---|
| InChI | InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9- |
| InChIKey | SPWSUFUPTSJWNG-SXGWCWSVSA-N |
| Mol Weight | 389.46 g/mol |
| Molecular Formula | C22H23N5O2 |
| Exact Mass | 389.185175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ea1nn14BiU2 |
|---|---|
| Name | ROQUEFORTINE |
| CAS Registry Number | 58735-64-1 |
| Compound Number | 178 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H23N5O2 |
| InChI | InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9- |
| InChIKey | SPWSUFUPTSJWNG-SXGWCWSVSA-N |
| Literature Reference Author | T.A.BROADBENT,E.G.PAUL |
| Literature Reference Citation | HETEROCYCLES,20,863(1983) |
| Literature Reference DOI | 10.3987/R-1983-05-0863 |
| Molecular Weight | 389.457 g/mol |
| Solvent | Unknown |
| Source File Reference | UNIW13217 |