| SpectraBase Spectrum ID |
B3WhblIpSxo |
| Name |
4-Methylsulfonyl-4-benzoyl-butyronitrile |
| CAS Registry Number |
22818-11-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO3S |
| InChI |
InChI=1S/C12H13NO3S/c1-17(15,16)11(8-5-9-13)12(14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3 |
| InChIKey |
XTQKPYSYRQAZEQ-UHFFFAOYSA-N |
| Molecular Weight |
251.300 g/mol |
| SMILES |
C(S(=O)(=O)C)(C(=O)c1ccccc1)CCC#N |
| SPLASH |
splash10-0a4i-4900000000-8bb4544c847b3a90652a |
| Source of Spectrum |
NP-7-1558-0 |
| Synonyms |
4-Methylsulfonyl-5-oxidanylidene-5-phenyl-pentanenitrile
4-Methylsulfonyl-5-oxo-5-phenyl-pentanenitrile
5-keto-4-mesyl-5-phenyl-valeronitrile |
| Wiley ID |
1106313 |
