| SpectraBase Spectrum ID |
5UBzBGOMpFg |
| Name |
Terephthalic acid, but-3-enyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c1-3-5-7-8-14-22-18(20)16-11-9-15(10-12-16)17(19)21-13-6-4-2/h4,9-12H,2-3,5-8,13-14H2,1H3 |
| InChIKey |
GOCUZZWHKYALTN-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938463 |
