| SpectraBase Spectrum ID |
GOpcih7d7hW |
| Name |
Terephthalic acid, isohexyl 3-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/c1-14(2)6-5-12-22-18(20)16-7-9-17(10-8-16)19(21)23-13-11-15(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey |
GRLVGRXXYBTYNG-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830744 |
