| SpectraBase Spectrum ID |
5WDPWnjIED2 |
| Name |
2-Iodophenylacetonitrile |
| CAS Registry Number |
40400-15-5 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.954494197 u |
| Formula |
C8H6IN |
| InChI |
InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2 |
| InChIKey |
FPSGTRJUQLYLHE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
243.047 g/mol |
| Nominal Mass |
243 u |
| Quality |
949 |
| Retention Index |
1495 |
| SMILES |
C=1(C(=CC=CC1)I)CC#N |
| SPLASH |
splash10-00ko-9640000000-75ea19093df2a0758b9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-Iodophenyl)acetonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017242 |
