| SpectraBase Compound ID | BxXiA4zu4G1 |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h4,6H,2-3H2,1H3,(H2,8,9) |
| InChIKey | DGCNDHQJZHWDQH-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2mEHJ6oT730 |
|---|---|
| Name | (ar)-4-N-Propyl-2,3-allenamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h4,6H,2-3H2,1H3,(H2,8,9) |
| InChIKey | DGCNDHQJZHWDQH-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(=C=CC(N)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805775 |