| SpectraBase Spectrum ID |
8kEJjoU6q6n |
| Name |
4-((4-(tert-butyl)phenyl)sulfonyl)benzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.097999963 u |
| Formula |
C17H17NO2S |
| InChI |
InChI=1S/C17H17NO2S/c1-17(2,3)14-6-10-16(11-7-14)21(19,20)15-8-4-13(12-18)5-9-15/h4-11H,1-3H3 |
| InChIKey |
OJSBCHVEQKKFQY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711104 |
| Molecular Weight |
299.388 g/mol |
| Quality |
42 |
| Reported Formula |
C17H17O2NS |
| SMILES |
C1=CC(=CC=C1C#N)S(C1=CC=C(C=C1)C(C)(C)C)(=O)=O |
| SPLASH |
splash10-001i-0190000000-5ac68e6fdd683b46c966 |
| Source of Spectrum |
ACI-57-SM13-6d (DOI: 10.1002/anie.201711104) |
| Wiley ID |
1891175 |
