| SpectraBase Spectrum ID |
Is1ZnT0Sgt4 |
| Name |
Terephthalic acid, 3,7-dimethylocta-2,6-dienyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.245709571 u |
| Formula |
C24H34O4 |
| InChI |
InChI=1S/C24H34O4/c1-18(2)8-6-10-20(5)15-17-28-24(26)22-13-11-21(12-14-22)23(25)27-16-7-9-19(3)4/h8,11-15,19H,6-7,9-10,16-17H2,1-5H3/b20-15+ |
| InChIKey |
OWPZYEAVIRUQKT-HMMYKYKNSA-N |
| Molecular Weight |
386.532 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC(C)C)=O)C(OC\C=C/(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961745 |
