![5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE](/api/spectrum/IFp8E5cwbzv/structure.png?h=300&w=458 "5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE")
| SpectraBase Compound ID | 1hcVYBwH9eo |
|---|---|
| InChI | InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3 |
| InChIKey | MLKDMLDPXRXKFT-UHFFFAOYSA-N |
| Mol Weight | 292.37 g/mol |
| Molecular Formula | C13H12N2O2S2 |
| Exact Mass | 292.03402 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IFp8E5cwbzv |
|---|---|
| Name | 5-METHYL-3-[(p-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE |
| Source of Sample | BIONET RESEARCH LTD., CORNWALL, ENGLAND |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12N2O2S2 |
| InChI | InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3 |
| InChIKey | MLKDMLDPXRXKFT-UHFFFAOYSA-N |
| Melting Point | 165-167C |
| Molecular Weight | 292.38 |
| Technique | KBr WAFER |