| SpectraBase Spectrum ID |
JJ9Um8UdfVo |
| Name |
Indole-3-carbonitrile |
| CAS Registry Number |
5457-28-3 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
142.053098201 u |
| Formula |
C9H6N2 |
| InChI |
InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H |
| InChIKey |
CHIFTAQVXHNVRW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
142.161 g/mol |
| Nominal Mass |
142 u |
| Quality |
955 |
| Retention Index |
1227 |
| SMILES |
C=12C(NC=C2C#N)=CC=CC1 |
| SPLASH |
splash10-0006-3900000000-ebfe0d65afbfcc127df2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1H-Indole-3-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001722 |
