| SpectraBase Spectrum ID |
82iOg8XpZyu |
| Name |
1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.109272345 u |
| Formula |
C20H27BrO4 |
| InChI |
InChI=1S/C20H27BrO4/c1-14(2)6-5-13-24-19(22)17-7-3-4-8-18(17)20(23)25-16-11-9-15(21)10-12-16/h9-12,14,17-18H,3-8,13H2,1-2H3 |
| InChIKey |
WPSGAXINKIMSBJ-UHFFFAOYSA-N |
| Molecular Weight |
411.336 g/mol |
| SMILES |
CC(C)CCCOC(C1C(C(=O)OC2=CC=C(C=C2)Br)CCCC1)=O |
