| SpectraBase Spectrum ID |
2pKoiFlIMD2 |
| Name |
Indole |
| CAS Registry Number |
120-72-9 |
| 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 |
117.057849229 u |
| Formula |
C8H7N |
| InChI |
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChIKey |
SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
117.151 g/mol |
| Nominal Mass |
117 u |
| Quality |
968 |
| Retention Index |
1276 |
| SMILES |
C=12C(C=CN2)=CC=CC1 |
| SPLASH |
splash10-014i-8900000000-d763112d795af3d03eb8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,3-Benzopyrrole
1H-Indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013750 |
