| SpectraBase Compound ID | Huf7JZJfOzj |
|---|---|
| InChI | InChI=1S/C8H8N2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,10H,6H2 |
| InChIKey | QIRSDXBXWUTMRE-UHFFFAOYSA-N |
| Mol Weight | 132.17 g/mol |
| Molecular Formula | C8H8N2 |
| Exact Mass | 132.068748 g/mol |
| SpectraBase Spectrum ID | K3C2jGrnRpM |
|---|---|
| Name | Cyanamide, (phenylmethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.068748266 u |
| Formula | C8H8N2 |
| InChI | InChI=1S/C8H8N2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,10H,6H2 |
| InChIKey | QIRSDXBXWUTMRE-UHFFFAOYSA-N |
| Molecular Weight | 132.166 g/mol |
| SMILES | C1=C(C=CC=C1)CNC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97649 |