| SpectraBase Spectrum ID |
GTQqQM62jNT |
| Name |
Isophthalic acid, 4-chloro-3-methylphenyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.159787045 u |
| Formula |
C23H27ClO4 |
| InChI |
InChI=1S/C23H27ClO4/c1-3-4-5-6-7-8-14-27-22(25)18-10-9-11-19(16-18)23(26)28-20-12-13-21(24)17(2)15-20/h9-13,15-16H,3-8,14H2,1-2H3 |
| InChIKey |
RJRQIYHAVUDKJY-UHFFFAOYSA-N |
| Molecular Weight |
402.918 g/mol |
| SMILES |
C1=C(C=C(C(=C1)Cl)C)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O |
