| SpectraBase Spectrum ID |
JF03nZvCDse |
| Name |
4-Iodo-benzenamine |
| CAS Registry Number |
540-37-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.954494197 u |
| Formula |
C6H6IN |
| InChI |
InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| InChIKey |
VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.025 g/mol |
| Nominal Mass |
219 u |
| Quality |
992 |
| Retention Index |
1343 |
| SMILES |
NC1=CC=C(C=C1)I |
| SPLASH |
splash10-014i-9070000000-19fdf49bb2441321ae49 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-iodoaniline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008251 |
