| SpectraBase Spectrum ID |
9pZHaPbJuGE |
| Name |
1-Cyano-2-propyl-2H-isoindole; 2H-isoindole-1-carbonitrile, 2-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.100048394 u |
| Formula |
C12H12N2 |
| InChI |
InChI=1S/C12H12N2/c1-2-7-14-9-10-5-3-4-6-11(10)12(14)8-13/h3-6,9H,2,7H2,1H3 |
| InChIKey |
SMUHMLGFUKEHDL-UHFFFAOYSA-N |
| Molecular Weight |
184.242 g/mol |
| SMILES |
C1(=C2C=CC=CC2=CN1CCC)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.735024 |
