| SpectraBase Spectrum ID |
HIuKoWg4DDE |
| Name |
4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]benzoic acid |
| Alternate Name(s) |
4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]benzoic acid
4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14N2O3S |
| InChI |
InChI=1S/C13H14N2O3S/c1-19-13-14-6-11(8-16)15(13)7-9-2-4-10(5-3-9)12(17)18/h2-6,16H,7-8H2,1H3,(H,17,18) |
| InChIKey |
RTKCXBFOIZTHFD-UHFFFAOYSA-N |
| Molecular Weight |
278.326 g/mol |
| SMILES |
OCc1cnc([n]1Cc1ccc(C(=O)O)cc1)SC |
| SPLASH |
splash10-052r-1950000000-b1ca6b42310ba5cb98d4 |
| Source of Spectrum |
Y-39-370-2 |
| Wiley ID |
1528458 |
![4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]benzoic acid](/api/spectrum/HIuKoWg4DDE/structure.png?h=300&w=458 "4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]benzoic acid")
