| SpectraBase Spectrum ID |
B4Ra8XWpIFu |
| Name |
2-Methyl-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4S |
| InChI |
InChI=1S/C13H13NO4S/c1-9-7-11(14-5-3-4-6-14)12(19(2,17)18)8-10(9)13(15)16/h3-8H,1-2H3,(H,15,16) |
| InChIKey |
ORKKSDGNUXWYKI-UHFFFAOYSA-N |
| Molecular Weight |
279.310 g/mol |
| SMILES |
OC(c1cc(S(=O)(=O)C)c(-[n]2cccc2)cc1C)=O |
| SPLASH |
splash10-004i-0090000000-3b7beb1ff9d296dd2afe |
| Source of Spectrum |
K1-2000-2254-4 |
| Synonyms |
2-Methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoic acid
5-Mesyl-2-methyl-4-pyrrol-1-yl-benzoic acid |
| Wiley ID |
750499 |
