| SpectraBase Spectrum ID |
Au5jWSOMIBy |
| Name |
Homogentisic acid, dimethyl ether, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.089208927 u |
| Formula |
C11H14O4 |
| InChI |
InChI=1S/C11H14O4/c1-13-9-4-5-10(14-2)8(6-9)7-11(12)15-3/h4-6H,7H2,1-3H3 |
| InChIKey |
NGFZJWMCFOTWNI-UHFFFAOYSA-N |
| Molecular Weight |
210.229 g/mol |
| SMILES |
C1(=CC(=CC=C1OC)OC)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967617 |