| SpectraBase Spectrum ID |
Dn83Xzc0DkY |
| Name |
Isophthalic acid, 2,6-dimethoxyphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-4-23-17(19)12-7-5-8-13(11-12)18(20)24-16-14(21-2)9-6-10-15(16)22-3/h5-11H,4H2,1-3H3 |
| InChIKey |
KEJUOWFKTLQCGS-UHFFFAOYSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
C1(=C(C(=CC=C1)OC)OC(C1=CC(=CC=C1)C(OCC)=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907579 |
