| SpectraBase Compound ID | WimEzGgBPt |
|---|---|
| InChI | InChI=1S/C6H5N3/c7-3-1-2-6(4-8)5-9/h1-2,4H,8H2/b2-1+,6-4+ |
| InChIKey | LOVNPCBVZRJWNA-ZMVSMXTFSA-N |
| Mol Weight | 119.13 g/mol |
| Molecular Formula | C6H5N3 |
| Exact Mass | 119.048347 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kzv2MI1qLGk |
|---|---|
| Name | Glutacononitrile, 4-(aminomethylene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.048347173 u |
| Formula | C6H5N3 |
| InChI | InChI=1S/C6H5N3/c7-3-1-2-6(4-8)5-9/h1-2,4H,8H2/b2-1+,6-4+ |
| InChIKey | LOVNPCBVZRJWNA-ZMVSMXTFSA-N |
| Molecular Weight | 119.127 g/mol |
| SMILES | C(#N)\C(=C\N)\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868136 |