| SpectraBase Compound ID | 2gmd96EkeXe |
|---|---|
| InChI | InChI=1S/C5H7N3/c6-2-1-4-8-5-3-7/h8H,1,4-5H2 |
| InChIKey | PGLAKXVNMUCTLS-UHFFFAOYSA-N |
| Mol Weight | 109.13 g/mol |
| Molecular Formula | C5H7N3 |
| Exact Mass | 109.063997 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GtIcYQ8H4lH |
|---|---|
| Name | 3-(Cyanomethyl-amino)-propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 109.063997237 u |
| Formula | C5H7N3 |
| InChI | InChI=1S/C5H7N3/c6-2-1-4-8-5-3-7/h8H,1,4-5H2 |
| InChIKey | PGLAKXVNMUCTLS-UHFFFAOYSA-N |
| Molecular Weight | 109.132 g/mol |
| SMILES | N(CCC#N)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.890233 |