| SpectraBase Compound ID | 1SLl9jcCkGj |
|---|---|
| InChI | InChI=1S/C12H11N3O3/c1-13-11(17)14-7-4-2-6-3-5-8(9(7)10(6)16)15(14)12(13)18/h2-9H,1H3 |
| InChIKey | NWACHWUAODSXSC-UHFFFAOYSA-N |
| Mol Weight | 245.24 g/mol |
| Molecular Formula | C12H11N3O3 |
| Exact Mass | 245.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVwiKsOQ38E |
|---|---|
| Name | Barbaralone derivative |
| CAS Registry Number | 64694-38-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H11N3O3 |
| InChI | InChI=1S/C12H11N3O3/c1-13-11(17)14-7-4-2-6-3-5-8(9(7)10(6)16)15(14)12(13)18/h2-9H,1H3 |
| InChIKey | NWACHWUAODSXSC-UHFFFAOYSA-N |
| Literature Reference | H. Olsen, Acta Chem. Scand. B31, 635 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |