| SpectraBase Spectrum ID |
HGuRPfAs715 |
| Name |
Terephthalic acid, hexyl 2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-4-6-7-8-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15(3)5-2/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey |
IPKGBLPOPRRPSB-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C(COC(C1=CC=C(C=C1)C(OCCCCCC)=O)=O)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919405 |
