| SpectraBase Compound ID | 8fQRv4Zoin5 |
|---|---|
| InChI | InChI=1S/C22H29BrO3/c1-15(2)6-5-7-17(4)22(25)13-12-16(3)14-20(22)26-21(24)18-8-10-19(23)11-9-18/h6,8-11,14,17,20,25H,5,7,12-13H2,1-4H3 |
| InChIKey | UWOAATFRBAXYDQ-UHFFFAOYSA-N |
| Mol Weight | 421.38 g/mol |
| Molecular Formula | C22H29BrO3 |
| Exact Mass | 420.130008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7ojVJ599Ct |
|---|---|
| Name | BENZOIC ACID, 4-BROMO-6-(1,5-DIMETHYL-4-HEXENYL)-6-HYDROXY-3-METHYL-2-CYCLOHEXEN-1-YL- ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H29BrO3 |
| InChI | InChI=1S/C22H29BrO3/c1-15(2)6-5-7-17(4)22(25)13-12-16(3)14-20(22)26-21(24)18-8-10-19(23)11-9-18/h6,8-11,14,17,20,25H,5,7,12-13H2,1-4H3 |
| InChIKey | UWOAATFRBAXYDQ-UHFFFAOYSA-N |
| NMR Standard | TMS |
| Solvent | CDCl3 |