| 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 | BWFeGij6BNC |
|---|---|
| Name | Isoroquefortine |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 | R. Vleggaar, P.L. Wessels, J. Chem. Soc. Chem. Comm. 160 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |