| SpectraBase Spectrum ID |
8J3iqVFnruK |
| Name |
(2-Iodoethyl)benzene |
| CAS Registry Number |
17376-04-4 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
231.974895290 u |
| Formula |
C8H9I |
| InChI |
InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey |
KVTHPKXDLVYNCH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
232.064 g/mol |
| Nominal Mass |
232 u |
| Quality |
985 |
| Retention Index |
1280 |
| SMILES |
C1(=CC=CC=C1)CCI |
| SPLASH |
splash10-0a4i-5900000000-f1caec17b391312236e6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-iodoethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005140 |
