SpectraBase Compound ID | LURfzbXcJBZ |
---|---|
InChI | InChI=1S/C11H9NO2S/c1-9-2-4-10(5-3-9)15(14)11(8-12)6-7-13/h2-7H,1H3/b11-6+ |
InChIKey | ZRSVXDDIKZTTMK-IZZDOVSWSA-N |
Mol Weight | 219.26 g/mol |
Molecular Formula | C11H9NO2S |
Exact Mass | 219.0354 g/mol |
SpectraBase Spectrum ID | GrF8cHToCxe |
---|---|
Name | (2E,(Ss))-2-[(4-Methylphenyl)sulfinyl]-4-oxobut-2-enenitrile |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H9NO2S |
InChI | InChI=1S/C11H9NO2S/c1-9-2-4-10(5-3-9)15(14)11(8-12)6-7-13/h2-7H,1H3/b11-6+ |
InChIKey | ZRSVXDDIKZTTMK-IZZDOVSWSA-N |
Molecular Weight | 219.258 g/mol |
SMILES | C(\C([S@](c1ccc(cc1)C)=O)=C/C=O)#N |
SPLASH | splash10-000l-6900000000-f234db3571a3608fb7bd |
Source of Spectrum | KD-13-2008-2 |
Wiley ID | 1635523 |