| SpectraBase Compound ID | AUB9pjmajP |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-14(8-10-17(20(24)25)16(3)13-19(22)23)9-11-18-15(2)7-6-12-21(18,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)(H,24,25)/b11-9+,14-8+,16-13+,17-10+ |
| InChIKey | BGOMUHYKLNJWPG-MJEMBEMNSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9c8SMBRgES |
|---|---|
| Name | 13-cis-12-Carboxyretinoic-acid |
| CAS Registry Number | 81176-74-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-14(8-10-17(20(24)25)16(3)13-19(22)23)9-11-18-15(2)7-6-12-21(18,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)(H,24,25)/b11-9+,14-8+,16-13+,17-10+ |
| InChIKey | BGOMUHYKLNJWPG-MJEMBEMNSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | J. Org. Chem. 47, 1799 (1982). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Dioxane-D8 |