| SpectraBase Spectrum ID |
9sVRPxCw1Er |
| Name |
Terephthalic acid, hexyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-5-7-8-9-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(6-2)15(3)4/h10-13,15,18H,5-9,14H2,1-4H3 |
| InChIKey |
LSTXIBVIOBXFIA-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C(OC(C1=CC=C(C(OCCCCCC)=O)C=C1)=O)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936099 |
