| SpectraBase Spectrum ID |
I9J8ZxvwsSY |
| Name |
Isophthalic acid, cis-hex-3-enyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h5,7,10-12,15H,3-4,6,8-9,13-14H2,1-2H3/b7-5- |
| InChIKey |
QQBIVNHSISUJMO-ALCCZGGFSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCCCC)C(OCC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871117 |
