| SpectraBase Spectrum ID |
ApxssXMkNDA |
| Name |
Isophthalic acid, 3,4-dimethylphenyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.198759378 u |
| Formula |
C23H28O4 |
| InChI |
InChI=1S/C23H28O4/c1-4-5-6-7-8-14-26-22(24)19-10-9-11-20(16-19)23(25)27-21-13-12-17(2)18(3)15-21/h9-13,15-16H,4-8,14H2,1-3H3 |
| InChIKey |
HXLPEQCAIISEBN-UHFFFAOYSA-N |
| Molecular Weight |
368.473 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCC)=O)=O)=CC(=C1C)C |
