| SpectraBase Spectrum ID |
9f1JPvOCesc |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-15(2)8-7-13-25-21(23)19-9-5-6-10-20(19)22(24)26-18-12-11-16(3)17(4)14-18/h11-12,14-15,19-20H,5-10,13H2,1-4H3 |
| InChIKey |
BTQYXDJLLGJHQS-UHFFFAOYSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C1CCCC(C1C(OCCCC(C)C)=O)C(=O)OC1=CC(=C(C=C1)C)C |
