| SpectraBase Spectrum ID |
A8pcLs6eSQX |
| Name |
Terephthalic acid, 2,6-dimethoxyphenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.157288487 u |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-4-5-6-14-26-20(22)15-10-12-16(13-11-15)21(23)27-19-17(24-2)8-7-9-18(19)25-3/h7-13H,4-6,14H2,1-3H3 |
| InChIKey |
CILSPHUMFAHECP-UHFFFAOYSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
CCCCCOC(C1=CC=C(C(OC2=C(C=CC=C2OC)OC)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923228 |
