| SpectraBase Spectrum ID |
FTGSHMG2eLb |
| Name |
2-(Cyanomethyl)-4-iodophenyl trifluoromethanesulfonate |
| Appearance |
Brown oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H5F3INO3S |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H5F3INO3S/c10-9(11,12)18(15,16)17-8-2-1-7(13)5-6(8)3-4-14/h1-2,5H,3H2 |
| InChIKey |
XHUUWAKFEYOYIU-UHFFFAOYSA-N |
| Inlet Type |
Split |
| Instrument Name |
Agilent Technologies 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202101278 |
| Molecular Weight |
391.103 g/mol |
| Quality |
72 |
| SMILES |
C(#N)CC1=C(C=CC(=C1)I)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-0a4l-0195000000-7be8d19a050174050bde |
| Source of Spectrum |
K1-2022-SM11-8 (DOI: 10.1002/ejoc.202101278) |
| Thin-Layer Chromatography |
0.26 (cyclohexane/EtOAc, 10:1) |
| Wiley ID |
1898553 |
