| SpectraBase Spectrum ID |
DkmtT5DHRXk |
| Name |
3-(1H-Indol-3-yl)-3-oxo-propanenitrile |
| CAS Registry Number |
20356-45-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
184.063662885 u |
| Formula |
C11H8N2O |
| InChI |
InChI=1S/C11H8N2O/c12-6-5-11(14)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5H2 |
| InChIKey |
KSKBLDDGNWKWKN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
184.198 g/mol |
| Nominal Mass |
184 u |
| Quality |
981 |
| Retention Index |
2350 |
| SMILES |
C=12C(=CNC2=CC=CC1)C(CC#N)=O |
| SPLASH |
splash10-0006-4900000000-83981447dc308719f35b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023862 |
