| SpectraBase Spectrum ID |
DlRO0tLbK9w |
| Name |
5-Fluoroindole |
| CAS Registry Number |
399-52-0 |
| 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 |
135.048427360 u |
| Formula |
C8H6FN |
| InChI |
InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey |
ODFFPRGJZRXNHZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
135.141 g/mol |
| Nominal Mass |
135 u |
| Quality |
981 |
| Retention Index |
1122 |
| SMILES |
C=12C(NC=C2)=CC=C(C1)F |
| SPLASH |
splash10-0a4r-3900000000-94863ba764e4bd55605a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1H-Indole,5-fluoro-
Indole,5-fluoro
5-Fluoro-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017204 |
