| SpectraBase Compound ID | ISwGYLxcPxT |
|---|---|
| InChI | InChI=1S/C6H8N2/c1-5(2)3-6(8)4-7/h3H,1,8H2,2H3/b6-3+ |
| InChIKey | CICAOHPUYIXYIA-ZZXKWVIFSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C6H8N2 |
| Exact Mass | 108.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HEEI0I2TyB |
|---|---|
| Name | 2,4-Pentadienenitrile, 2-amino-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.068748266 u |
| Formula | C6H8N2 |
| InChI | InChI=1S/C6H8N2/c1-5(2)3-6(8)4-7/h3H,1,8H2,2H3/b6-3+ |
| InChIKey | CICAOHPUYIXYIA-ZZXKWVIFSA-N |
| Molecular Weight | 108.144 g/mol |
| SMILES | C(\C(N)=C/C(=C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967573 |