| SpectraBase Spectrum ID |
2ZAcBc4db52 |
| Name |
Phthalic acid, hexyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h5,7,9-10,13-14H,3-4,6,8,11-12,15-16H2,1-2H3/b7-5+ |
| InChIKey |
BNURUOWZODZXSR-FNORWQNLSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCCCCC)=O)C(OCC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817968 |
