SpectraBase Compound ID | AQrxmuIJW1 |
---|---|
InChI | InChI=1S/C14H13ClF3NO2S/c1-13(2,3)22(20,21)11(8-19)6-9-4-5-10(7-12(9)15)14(16,17)18/h4-7H,1-3H3 |
InChIKey | GQYWSPGOSQQVNJ-UHFFFAOYSA-N |
Mol Weight | 351.77 g/mol |
Molecular Formula | C14H13ClF3NO2S |
Exact Mass | 351.030762 g/mol |
SpectraBase Spectrum ID | 3nZIHfCEZuB |
---|---|
Name | alpha-(tert-butylsulfonyl)-2-chloro-4-(trifluoromethyl)cinnamonitrile |
Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C14H13ClF3NO2S |
InChI | InChI=1S/C14H13ClF3NO2S/c1-13(2,3)22(20,21)11(8-19)6-9-4-5-10(7-12(9)15)14(16,17)18/h4-7H,1-3H3 |
InChIKey | GQYWSPGOSQQVNJ-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 59230M |
Solvent | DMSO-d6 |