| SpectraBase Spectrum ID |
5oWZEbfiOTA |
| Name |
Terephthalic acid, 3,5-dimethylphenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-4-5-6-11-24-20(22)17-7-9-18(10-8-17)21(23)25-19-13-15(2)12-16(3)14-19/h7-10,12-14H,4-6,11H2,1-3H3 |
| InChIKey |
BVXVUNGPISHGAV-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
CCCCCOC(C1=CC=C(C=C1)C(OC1=CC(=CC(C)=C1)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933185 |
