| SpectraBase Spectrum ID |
KtfWiSoQpjG |
| Name |
Terephthalic acid, 2,6-dimethoxyphenyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.141638422 u |
| Formula |
C20H22O6 |
| InChI |
InChI=1S/C20H22O6/c1-13(2)12-25-19(21)14-8-10-15(11-9-14)20(22)26-18-16(23-3)6-5-7-17(18)24-4/h5-11,13H,12H2,1-4H3 |
| InChIKey |
UFYPPHHXFBOEAI-UHFFFAOYSA-N |
| Molecular Weight |
358.390 g/mol |
| SMILES |
CC(COC(C1=CC=C(C=C1)C(OC1=C(OC)C=CC=C1OC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919994 |
