| SpectraBase Compound ID | BEBsBFrLGeS |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-12,14,18H,7,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- |
| InChIKey | ILLYYNHLCANIBL-XFYACQKRSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Uw3HjyMyaT |
|---|---|
| Name | 13-cis-Iso-vitamin A acid |
| CAS Registry Number | 58526-49-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-12,14,18H,7,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- |
| InChIKey | ILLYYNHLCANIBL-XFYACQKRSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | G. Englert, Helv. Chim. Acta 58, 2367 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |