| SpectraBase Compound ID | IWZ4CmR025w |
|---|---|
| InChI | InChI=1S/C8H12N2O/c1-3-6-10(8(2)11)7-4-5-9/h3H,1,4,6-7H2,2H3 |
| InChIKey | PLIFOIPEGYCFEE-UHFFFAOYSA-N |
| Mol Weight | 152.2 g/mol |
| Molecular Formula | C8H12N2O |
| Exact Mass | 152.094963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LomCqELg7lB |
|---|---|
| Name | 3-(Allylamino)propanenitrile, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.094963013 u |
| Formula | C8H12N2O |
| InChI | InChI=1S/C8H12N2O/c1-3-6-10(8(2)11)7-4-5-9/h3H,1,4,6-7H2,2H3 |
| InChIKey | PLIFOIPEGYCFEE-UHFFFAOYSA-N |
| Molecular Weight | 152.197 g/mol |
| SMILES | C(N(CC=C)C(=O)C)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968201 |