SpectraBase Spectrum ID |
ITR8ufPMQre |
Name |
Phthalic acid, 2,6-dimethoxyphenyl methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.094688229 u |
Formula |
C17H16O6 |
InChI |
InChI=1S/C17H16O6/c1-20-13-9-6-10-14(21-2)15(13)23-17(19)12-8-5-4-7-11(12)16(18)22-3/h4-10H,1-3H3 |
InChIKey |
OFTGTGHBWRZAPY-UHFFFAOYSA-N |
Molecular Weight |
316.309 g/mol |
SMILES |
C(OC1=C(OC)C=CC=C1OC)(=O)C1=C(C=CC=C1)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836161 |