| SpectraBase Spectrum ID |
AnhVlhKv0jZ |
| Name |
Terephthalic acid, 3,7-dimethylocta-2,6-dienyl hexyl 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/c1-5-6-7-8-17-27-23(25)21-12-14-22(15-13-21)24(26)28-18-16-20(4)11-9-10-19(2)3/h10,12-16H,5-9,11,17-18H2,1-4H3/b20-16+ |
| InChIKey |
YISLKVZIIJRVFT-CAPFRKAQSA-N |
| Molecular Weight |
386.532 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OC\C=C/(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960673 |
