| SpectraBase Spectrum ID |
DO3tKQrNbxF |
| Name |
Terephthalic acid, 4-heptyl isobutyl 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/c1-5-7-17(8-6-2)23-19(21)16-11-9-15(10-12-16)18(20)22-13-14(3)4/h9-12,14,17H,5-8,13H2,1-4H3 |
| InChIKey |
FNDHYQWTKSILDS-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953078 |
