| SpectraBase Spectrum ID |
HlZbXo8gwBZ |
| Name |
1H-Pyrrole-3-butanoic acid, 5-carboxy-2,4-dimethyl-, .alpha.-methyl ester |
| CAS Registry Number |
99602-68-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-7-9(5-4-6-10(14)17-3)8(2)13-11(7)12(15)16/h13H,4-6H2,1-3H3,(H,15,16) |
| InChIKey |
DXCFIVFZRAJBRK-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
[nH]1c(c(c(c1C(=O)O)C)CCCC(=O)OC)C |
| SPLASH |
splash10-052s-0490000000-f1abd7f67322dc923b9e |
| Source of Spectrum |
KC-1985-1704-16 |
| Synonyms |
4-(3-Methoxycarbonylpropyl)-3,5-dimethylpyrrole-2-carboxylic acid
4-(4-Methoxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid |
| Wiley ID |
1241841 |
