| SpectraBase Spectrum ID |
8Zl3X8CMOpB |
| Name |
Terephthalic acid, ethyl 4-octyl 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/c1-4-7-9-16(8-5-2)22-18(20)15-12-10-14(11-13-15)17(19)21-6-3/h10-13,16H,4-9H2,1-3H3 |
| InChIKey |
ICCQBMHOWSGLJK-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC(CCCC)CCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881057 |
