| SpectraBase Spectrum ID |
5CGY18P6Js |
| Name |
5-Bromoindole |
| CAS Registry Number |
10075-50-0 |
| Classification |
Pharmaceutical drug intermediate |
| 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 |
194.968362197 u |
| Formula |
C8H6BrN |
| InChI |
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey |
VXWVFZFZYXOBTA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.047 g/mol |
| Nominal Mass |
195 u |
| Quality |
969 |
| Retention Index |
1391 |
| SMILES |
C=12C(NC=C2)=CC=C(C1)Br |
| SPLASH |
splash10-00kb-6900000000-707de449e24862b8d751 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Indole,5-bromo
5-Bromo-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017192 |
