| SpectraBase Compound ID | EQEqSuHjchE |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3 |
| InChIKey | YUPNHTWYVBHLMG-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bzCm8IlgFU |
|---|---|
| Name | (+)-Isoshinanolone |
| CAS Registry Number | 72058-77-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3 |
| InChIKey | YUPNHTWYVBHLMG-UHFFFAOYSA-N |
| Literature Reference | S. Hamson, M. Crawford, Phytochem. 20, 1162, (1981). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |