| SpectraBase Spectrum ID |
DoYAZUHSknY |
| Name |
1-(p-tolylsulfonyl)-3-(2,2,2-trifluoroethyl)-4-(trifluoromethylsulfanylmethyl)pyrrolidine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.060490115 u |
| Formula |
C15H17F6NO2S2 |
| InChI |
InChI=1S/C15H17F6NO2S2/c1-10-2-4-13(5-3-10)26(23,24)22-7-11(6-14(16,17)18)12(8-22)9-25-15(19,20)21/h2-5,11-12H,6-9H2,1H3 |
| InChIKey |
AJKZXDUPTVHAGS-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7250 QTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202306095 |
| Molecular Weight |
421.416 g/mol |
| Quality |
674 |
| SMILES |
C1N(CC(C1CC(F)(F)F)CSC(F)(F)F)S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-05tf-9724100000-ab164cd97059c5d7b3fd |
| Source of Spectrum |
ACI-62-SM28-17n (DOI: 10.1002/anie.202306095) |
| Wiley ID |
1911902 |
