| SpectraBase Spectrum ID |
6z5ZEwYOjtk |
| Name |
1H-Pyrrole-2-carboxylic acid, 5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)methyl]-4-(2-chloroethyl)-3-methyl- |
| Alternate Name(s) |
3-(2-Chloroethyl)-3',4-dimethylpyrromethane-5,5'-dicarboxylic acid
5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)methyl]-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylic acid |
| CAS Registry Number |
62786-74-7 |
| Comments |
Removed - unrepairable contamination (CH2Cl2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17ClN2O4 |
| InChI |
InChI=1S/C15H17ClN2O4/c1-7-5-12(14(19)20)17-10(7)6-11-9(3-4-16)8(2)13(18-11)15(21)22/h5,17-18H,3-4,6H2,1-2H3,(H,19,20)(H,21,22) |
| InChIKey |
HAMBSUDCKWUCKS-UHFFFAOYSA-N |
| Molecular Weight |
324.764 g/mol |
| SMILES |
[nH]1c(C(=O)O)c(c(CCCl)c1Cc1[nH]c(cc1C)C(=O)O)C |
| SPLASH |
splash10-000i-9000000000-a86ebe93e48c7707cced |
| Source of Spectrum |
KC-1976-2504-0 |
| Wiley ID |
1322930 |
![1H-Pyrrole-2-carboxylic acid, 5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)methyl]-4-(2-chloroethyl)-3-methyl-](/api/spectrum/6z5ZEwYOjtk/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)methyl]-4-(2-chloroethyl)-3-methyl-")
