| SpectraBase Spectrum ID |
B0JUPVs8h3Q |
| Name |
1H-Pyrrole-3,4-dicarboxylic acid, 2-(3,5-dichloro-2-methoxyphenyl)- |
| Alternate Name(s) |
2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole-3,4-dicarboxylic acid
2-(3,5-Dichloro-2-methoxyphenyl)pyrrole-3,4-dicarboxylic acid |
| CAS Registry Number |
69640-31-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9Cl2NO5 |
| InChI |
InChI=1S/C13H9Cl2NO5/c1-21-11-6(2-5(14)3-8(11)15)10-9(13(19)20)7(4-16-10)12(17)18/h2-4,16H,1H3,(H,17,18)(H,19,20) |
| InChIKey |
XUHXFHURGIQIQW-UHFFFAOYSA-N |
| Molecular Weight |
330.123 g/mol |
| SMILES |
[nH]1cc(c(C(=O)O)c1-c1c(c(Cl)cc(c1)Cl)OC)C(=O)O |
| SPLASH |
splash10-0059-0009000000-054745b44c32c7d75660 |
| Source of Spectrum |
KC-1978-1593-0 |
| Wiley ID |
1326929 |
