| SpectraBase Spectrum ID |
9GqQVkgVJZx |
| Name |
2-(5-Iodo-2-methoxyphenyl)acetonitrile |
| Appearance |
Colourless crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.965058881 u |
| Formula |
C9H8INO |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H8INO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3 |
| InChIKey |
NQCDVIIKUSYACE-UHFFFAOYSA-N |
| Inlet Type |
Split |
| Instrument Name |
Agilent Technologies 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202101278 |
| Molecular Weight |
273.073 g/mol |
| Quality |
67 |
| SMILES |
C=1(I)C=CC(=C(C1)CC#N)OC |
| SPLASH |
splash10-00di-0090000000-6d7cfa8d738b7f0ba38b |
| Source of Spectrum |
K1-2022-SM10-7 (DOI: 10.1002/ejoc.202101278) |
| Thin-Layer Chromatography |
0.28 (cyclohexane/EtOAc, 6:1) |
| Wiley ID |
1898551 |
