| SpectraBase Spectrum ID |
JoIwXLrIU4E |
| Name |
Isophthalic acid, isohexyl 1-naphthyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.167459249 u |
| Formula |
C24H24O4 |
| InChI |
InChI=1S/C24H24O4/c1-17(2)8-7-15-27-23(25)19-11-5-12-20(16-19)24(26)28-22-14-6-10-18-9-3-4-13-21(18)22/h3-6,9-14,16-17H,7-8,15H2,1-2H3 |
| InChIKey |
XQIVTXAUQWDSGD-UHFFFAOYSA-N |
| Molecular Weight |
376.452 g/mol |
| SMILES |
C1(=CC=CC2=C1C=CC=C2)OC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O |
