| SpectraBase Spectrum ID |
GfmAoyn6fth |
| Name |
Terephthalic acid, 3,7-dimethylocta-2,6-dienyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.261359635 u |
| Formula |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-5-6-7-8-9-18-28-24(26)22-13-15-23(16-14-22)25(27)29-19-17-21(4)12-10-11-20(2)3/h11,13-17H,5-10,12,18-19H2,1-4H3/b21-17+ |
| InChIKey |
ZOBCPRPWLOYDDO-HEHNFIMWSA-N |
| Molecular Weight |
400.559 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(OC\C=C/(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90095 |
