| SpectraBase Spectrum ID |
1naGOCnrbCI |
| Name |
Terephthalic acid, butyl heptyl 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/c1-3-5-7-8-9-15-23-19(21)17-12-10-16(11-13-17)18(20)22-14-6-4-2/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey |
UXJOJIVVZYTVTM-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918664 |
