| SpectraBase Spectrum ID |
8TJWj0AGaGa |
| Name |
Isophthalic acid, di(cis-hex-3-enyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h5-8,11-13,16H,3-4,9-10,14-15H2,1-2H3/b7-5-,8-6- |
| InChIKey |
WZABUZCDGHEXSO-SFECMWDFSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCC\C=C/CC)C(OCC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924746 |
