| SpectraBase Compound ID | FXLmA3tpZ0G |
|---|---|
| InChI | InChI=1S/C9H12O4S2/c1-9(2)12-6(10)5(7(11)13-9)8(14-3)15-4/h1-4H3 |
| InChIKey | OCIGQKNRHXFMQJ-UHFFFAOYSA-N |
| Mol Weight | 248.31 g/mol |
| Molecular Formula | C9H12O4S2 |
| Exact Mass | 248.017701 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JuiVxz4AaUd |
|---|---|
| Name | [BIS(METHYLTHIO)METHYLENE]MALONIC ACID, CYCLIC ISOPROPYLIDENE ESTER |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O4S2 |
| InChI | InChI=1S/C9H12O4S2/c1-9(2)12-6(10)5(7(11)13-9)8(14-3)15-4/h1-4H3 |
| InChIKey | OCIGQKNRHXFMQJ-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 119-121C |
| Molecular Weight | 248.32 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |