| SpectraBase Compound ID | IuJVC9tZHhh |
|---|---|
| InChI | InChI=1S/C9H11NO2S2/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChIKey | ZGGMIXJSKPKNMF-UHFFFAOYSA-N |
| Mol Weight | 229.31 g/mol |
| Molecular Formula | C9H11NO2S2 |
| Exact Mass | 229.023121 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GcmRC1iG8Ks |
|---|---|
| Name | 2-Amino-3,5-bis(methylthio)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11NO2S2 |
| InChI | InChI=1S/C9H11NO2S2/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChIKey | ZGGMIXJSKPKNMF-UHFFFAOYSA-N |
| Molecular Weight | 229.312 g/mol |
| SMILES | Nc1c(C(O)=O)cc(cc1SC)SC |
| SPLASH | splash10-0059-1980000000-951bed0901103cfd2591 |
| Source of Spectrum | JX-2015-0-832 |
| Wiley ID | 1720719 |