| SpectraBase Spectrum ID |
BQevwOjmwl3 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.159787045 u |
| Formula |
C21H27ClO4 |
| InChI |
InChI=1S/C21H27ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-16-11-12-19(22)15(2)14-16/h6-7,11-12,14,17-18H,3-5,8-10,13H2,1-2H3 |
| InChIKey |
UFKCGOZAOHSYHY-UHFFFAOYSA-N |
| Molecular Weight |
378.896 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl |
