| SpectraBase Spectrum ID |
DXI5ZSYAfKj |
| Name |
Terephthalic acid, di(dec-4-enyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.308309828 u |
| Formula |
C28H42O4 |
| InChI |
InChI=1S/C28H42O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-19-21-26(22-20-25)28(30)32-24-18-16-14-12-10-8-6-4-2/h11-14,19-22H,3-10,15-18,23-24H2,1-2H3/b13-11+,14-12+ |
| InChIKey |
RQLZGPDLYCFJON-PHEQNACWSA-N |
| Molecular Weight |
442.640 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC\C=C\CCCCC)=O)C(OCCC\C=C\CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94554 |
