| SpectraBase Spectrum ID |
7hsntyPZuKY |
| Name |
Isophthalic acid, pent-4-enyl butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.151809184 u |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-3-5-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-6-4-2/h3,8-10,13H,1,4-7,11-12H2,2H3 |
| InChIKey |
LEFJXIIURQPKLJ-UHFFFAOYSA-N |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCCC)C(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95709 |
