| SpectraBase Spectrum ID |
FgyqvcZ9wN5 |
| Name |
4-bromobenzoic acid [(1R,3R)-3-hydroxy-4-(3-ketobut-1-enylidene)-3,5,5-trimethyl-cyclohexyl] ester |
| Compound Number |
5B |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C20H23BrO4 |
| InChI |
InChI=1S/C20H23BrO4/c1-13(22)5-10-17-19(2,3)11-16(12-20(17,4)24)25-18(23)14-6-8-15(21)9-7-14/h5-9,16,24H,11-12H2,1-4H3/t10?,16-,20-/m1/s1 |
| InChIKey |
ALPAXVZDCZIGKF-WPEGVQFTSA-N |
| Literature Reference Author |
H.OTSUKA,H.KIJIMA,E.HIRATA,T.SHINZATO,A.TAKUSHI,M.BANDO,Y.TA
KEDA |
| Literature Reference Citation |
CHEM.PHARM.BULL.,51,286(2003) |
| Literature Reference DOI |
10.1248/cpb.51.286 |
| Molecular Weight |
407.304 g/mol |
| Solvent |
CD3OD |
| Source File Reference |
UWMS21173 |
![4-bromobenzoic acid [(1R,3R)-3-hydroxy-4-(3-ketobut-1-enylidene)-3,5,5-trimethyl-cyclohexyl] ester](/api/spectrum/FgyqvcZ9wN5/structure.png?h=300&w=458 "4-bromobenzoic acid [(1R,3R)-3-hydroxy-4-(3-ketobut-1-enylidene)-3,5,5-trimethyl-cyclohexyl] ester")
