| SpectraBase Spectrum ID |
36RSTJK4O6s |
| Name |
3,3-Dimethyl-1-(toluene-4-sulfinyl)butan-2-one |
| Alternate Name(s) |
3,3-dimethyl-1-(4-methylphenyl)sulfinyl-2-butanone
3,3-dimethyl-1-(4-methylphenyl)sulfinyl-butan-2-one
3,3-dimethyl-1-(p-tolylsulfinyl)butan-2-one |
| CAS Registry Number |
71899-71-3 |
| Comments |
Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821329 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10-5-7-11(8-6-10)16(15)9-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey |
RVMXYCWWGIXDJK-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
Cc1ccc(cc1)S(=O)CC(=O)C(C)(C)C |
| SPLASH |
splash10-000i-9300000000-90df116aa784434a6ee3 |
| Wiley ID |
1475543 |
