| SpectraBase Compound ID | 7c9rvXkTwXE |
|---|---|
| InChI | InChI=1S/C4H3N3/c5-2-1-4(7)3-6/h1H,7H2/b4-1+ |
| InChIKey | NPHXBQJRDOVAAF-DAFODLJHSA-N |
| Mol Weight | 93.09 g/mol |
| Molecular Formula | C4H3N3 |
| Exact Mass | 93.032697 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LwkWawWDDap |
|---|---|
| Name | 2-Amino-2-butenedinitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 93.032697109 u |
| Formula | C4H3N3 |
| InChI | InChI=1S/C4H3N3/c5-2-1-4(7)3-6/h1H,7H2/b4-1+ |
| InChIKey | NPHXBQJRDOVAAF-DAFODLJHSA-N |
| Molecular Weight | 93.089 g/mol |
| SMILES | C(\C(N)=C/C#N)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938196 |