| SpectraBase Compound ID | A7S93DUVGX0 |
|---|---|
| InChI | InChI=1S/C6H7NO2S2/c1-3-4(6(8)9)5(10-2)7-11-3/h1-2H3,(H,8,9) |
| InChIKey | JZFLOFPBDHTWCO-UHFFFAOYSA-N |
| Mol Weight | 189.25 g/mol |
| Molecular Formula | C6H7NO2S2 |
| Exact Mass | 188.991821 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 44y0fQEDebE |
|---|---|
| Name | 5-METHYL-3-(METHYLTHIO)-4-ISOTHIAZOLECARBOXYLIC ACID |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7NO2S2 |
| InChI | InChI=1S/C6H7NO2S2/c1-3-4(6(8)9)5(10-2)7-11-3/h1-2H3,(H,8,9) |
| InChIKey | JZFLOFPBDHTWCO-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 242-244C |
| Molecular Weight | 189.26 |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |