| SpectraBase Compound ID | 6d2rmnNRbvZ |
|---|---|
| InChI | InChI=1S/C7H12N2/c1-4-9-7(5-8)6(2)3/h9H,4H2,1-3H3 |
| InChIKey | AKOUHQQSMYFMJU-UHFFFAOYSA-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 | 6UKtdZ9NTY1 |
|---|---|
| Name | 2-(Ethylamino)-3-methyl-2-butenenitrile |
| 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/c1-4-9-7(5-8)6(2)3/h9H,4H2,1-3H3 |
| InChIKey | AKOUHQQSMYFMJU-UHFFFAOYSA-N |
| Molecular Weight | 124.187 g/mol |
| SMILES | C(C#N)(=C(C)C)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803621 |