| SpectraBase Spectrum ID |
2BrF6lbAyJL |
| Name |
Terephthalic acid, butyl 3-hexyl 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/c1-4-7-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16(6-3)8-5-2/h9-12,16H,4-8,13H2,1-3H3 |
| InChIKey |
UUBDDOPHNNBMPV-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCC)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954014 |
