| SpectraBase Spectrum ID |
CD77jeWdMZQ |
| Name |
Terephthalic acid, 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/c1-4-5-6-7-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3 |
| InChIKey |
FITVDPZURIXBQW-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(OCC(C)C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924153 |
