| SpectraBase Compound ID | 3HKSXUnchVV |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-7(2)6-11-9(5-10)8(3)4/h6-9H,1-4H3/b11-6+ |
| InChIKey | FHPIYCXHVUFYLS-IZZDOVSWSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C9H16N2 |
| Exact Mass | 152.131349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A42bnPARCCt |
|---|---|
| Name | 2-Isobutylideneamino-3-methylbutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.131348523 u |
| Formula | C9H16N2 |
| InChI | InChI=1S/C9H16N2/c1-7(2)6-11-9(5-10)8(3)4/h6-9H,1-4H3/b11-6+ |
| InChIKey | FHPIYCXHVUFYLS-IZZDOVSWSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | CC(C)C(\N=C\C(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816743 |