| SpectraBase Spectrum ID |
CwRX3LODD7z |
| Name |
4-Chloro-4-(5-iodopyridin-3-yl)butanenitrile |
| Appearance |
Reddish brown oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.942070966 u |
| Formula |
C9H8ClIN2 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H8ClIN2/c10-9(2-1-3-12)7-4-8(11)6-13-5-7/h4-6,9H,1-2H2 |
| InChIKey |
NHBLJTMNWALEFQ-UHFFFAOYSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
Aligent Technologies 7890A(G3440A) GC-5975C inert mass sensitive detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202101280 |
| Molecular Weight |
306.534 g/mol |
| SMILES |
C(Cl)(CCC#N)C=1C=NC=C(C1)I |
| SPLASH |
splash10-0ab9-0098000000-a0b8d847546d1d3e0ee9 |
| Source of Spectrum |
K1-2022-SM32-28 (DOI: 10.1002/ejoc.202101280) |
| Thin-Layer Chromatography |
0.38 (cyclohexane/EtOAc, 6:4) |
| Wiley ID |
1898588 |
