| SpectraBase Spectrum ID |
7aisgLygMJw |
| Name |
Terephthalic acid, 3,7-dimethylocta-2,6-dienyl butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.214409442 u |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-5-6-15-25-21(23)19-10-12-20(13-11-19)22(24)26-16-14-18(4)9-7-8-17(2)3/h8,10-14H,5-7,9,15-16H2,1-4H3/b18-14+ |
| InChIKey |
SCAJNJAQOJLATH-NBVRZTHBSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(OC\C=C/(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963769 |
