| SpectraBase Compound ID | JksAfQ6stFn |
|---|---|
| InChI | InChI=1S/C12H8O3/c1-7-6-8-2-3-10-9(4-5-14-10)11(8)15-12(7)13/h2-6H,1H3 |
| InChIKey | LFOMIXFRGAIFQF-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C12H8O3 |
| Exact Mass | 200.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSfYW5dEl9x |
|---|---|
| Name | 3-Methylangelicin |
| CAS Registry Number | 91666-89-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H8O3 |
| InChI | InChI=1S/C12H8O3/c1-7-6-8-2-3-10-9(4-5-14-10)11(8)15-12(7)13/h2-6H,1H3 |
| InChIKey | LFOMIXFRGAIFQF-UHFFFAOYSA-N |
| Literature Reference | J. Heterocycl. Chem. 21, 235 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |