| SpectraBase Compound ID | SxIxWBP96L |
|---|---|
| InChI | InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8/h4,6,9H,1-3H3/b6-4+ |
| InChIKey | MLYHCPSVVARPEW-GQCTYLIASA-N |
| Mol Weight | 124.19 g/mol |
| Molecular Formula | C7H12N2 |
| Exact Mass | 124.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | yJKTBXRbo2 |
|---|---|
| Name | Tert.-butylaminoacrylonitryl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.100048394 u |
| Formula | C7H12N2 |
| InChI | InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8/h4,6,9H,1-3H3/b6-4+ |
| InChIKey | MLYHCPSVVARPEW-GQCTYLIASA-N |
| Molecular Weight | 124.187 g/mol |
| SMILES | C(N\C=C\C#N)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81526 |