| SpectraBase Spectrum ID |
6nHwcGWH45N |
| Name |
4-(2-carboxy-4,5-dimethoxy-phenyl)-1,3-benzodioxole-5-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14O8 |
| InChI |
InChI=1S/C17H14O8/c1-22-12-5-9(10(17(20)21)6-13(12)23-2)14-8(16(18)19)3-4-11-15(14)25-7-24-11/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21) |
| InChIKey |
ZVWVPHICDLAPQZ-UHFFFAOYSA-N |
| Molecular Weight |
346.291 g/mol |
| SMILES |
OC(c1c(-c2c(C(=O)O)cc(c(c2)OC)OC)c2c(cc1)OCO2)=O |
| SPLASH |
splash10-0udj-0009000000-7dd1d02ed5fceaa1a1dc |
| Source of Spectrum |
KC-1993-1478-20 |
| Synonyms |
4-(2-carboxy-4,5-dimethoxy-phenyl)-piperonylic acid |
| Wiley ID |
778194 |
