| SpectraBase Spectrum ID |
LWbxNTlgAEv |
| Name |
Isophthalic acid, isohexyl 4-isopropylphenyl 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/c1-16(2)7-6-14-26-22(24)19-8-5-9-20(15-19)23(25)27-21-12-10-18(11-13-21)17(3)4/h5,8-13,15-17H,6-7,14H2,1-4H3 |
| InChIKey |
DGYHZOVKWIGFLH-UHFFFAOYSA-N |
| Molecular Weight |
368.473 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OCCCC(C)C)=O)=O)=CC=C1C(C)C |
