| SpectraBase Spectrum ID |
9XaDfLR8obS |
| Name |
Isophthalic acid, isohexyl phenylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-17(2)8-7-14-25-21(23)19-11-6-12-20(16-19)22(24)26-15-13-18-9-4-3-5-10-18/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3 |
| InChIKey |
GOHQXFIAMOVKJJ-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C(C1=CC(=CC=C1)C(OCCC1=CC=CC=C1)=O)(OCCCC(C)C)=O |
