| SpectraBase Spectrum ID |
4uZvU1o4E7R |
| Name |
Terephthalic acid, 3-hexyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-5-7-16(6-2)22-18(20)15-10-8-14(9-11-15)17(19)21-12-13(3)4/h8-11,13,16H,5-7,12H2,1-4H3 |
| InChIKey |
LJHRZFVFOUYUJK-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(C)C)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939679 |
