| SpectraBase Spectrum ID |
CSJGbQZrB6f |
| Name |
1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.110732215 u |
| Formula |
C20H20O9 |
| InChI |
InChI=1S/C20H20O9/c1-8-6-11(10(3)16(21)13(8)19(25)28-5)29-20(26)14-9(2)7-12(27-4)15(17(14)22)18(23)24/h6-7,21-22H,1-5H3,(H,23,24) |
| InChIKey |
KUGJNJIBROAICE-UHFFFAOYSA-N |
| Molecular Weight |
404.371 g/mol |
| SMILES |
C=1(C(OC=2C(=C(O)C(=C(C2)C)C(=O)OC)C)=O)C(=C(C(=O)O)C(=CC1C)OC)O |
![1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]ester](/api/spectrum/CSJGbQZrB6f/structure.png?h=300&w=458 "1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]ester")
