| SpectraBase Compound ID | FIuwZDYBxH8 |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-7-6-11-13(16-7)9(3)8(2)10-4-5-12(15)17-14(10)11/h4-6H,1-3H3 |
| InChIKey | SQECVKHKIHDURX-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXiCzjZx7vB |
|---|---|
| Name | 5,6,5'-Trimethylangelicin |
| CAS Registry Number | 90370-13-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-7-6-11-13(16-7)9(3)8(2)10-4-5-12(15)17-14(10)11/h4-6H,1-3H3 |
| InChIKey | SQECVKHKIHDURX-UHFFFAOYSA-N |
| Literature Reference | J. Heterocycl. Chem. 21, 235 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |