| SpectraBase Spectrum ID |
1PYbiIvogAv |
| Name |
4-(4-bromophenyl)-2-isopropyl-penta-2,3-dienoic acid |
| Appearance |
solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15BrO2 |
| InChI |
InChI=1S/C14H15BrO2/c1-9(2)13(14(16)17)8-10(3)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H,16,17) |
| InChIKey |
NKDYAUKQBXHRCS-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Optical Rotation |
[a]D26 = +84.6 (c = 1.32, CHCl3) |
| Reported Formula |
C14H15(79)BrO2 |
| SMILES |
OC(C(=C=C(c1ccc(cc1)Br)C)C(C)C)=O |
| SPLASH |
splash10-0a4m-0790000000-00d2b9eec3bd2671fa9d |
| Sample Comments |
>99% ee |
| Source of Spectrum |
CN111302928A |
| Wiley ID |
1877160 |
