| SpectraBase Spectrum ID |
8GomRCafYPo |
| Name |
3-Iodopropylbenzene |
| CAS Registry Number |
4119-41-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
245.990545354 u |
| Formula |
C9H11I |
| InChI |
InChI=1S/C9H11I/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey |
RGCKJSPKMTWLLX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.091 g/mol |
| Nominal Mass |
246 u |
| Quality |
989 |
| Retention Index |
1389 |
| SMILES |
C1(=CC=CC=C1)CCCI |
| SPLASH |
splash10-0006-9210000000-fe0ec7e29f6d150a185e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3-Iodopropyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019221 |
