| SpectraBase Compound ID | Ek4NBrsU9xc |
|---|---|
| InChI | InChI=1S/C7H9NO/c1-3-5-7(9)8-6-4-2/h4H,2,6H2,1H3,(H,8,9) |
| InChIKey | ILBDFVRESQVNHT-UHFFFAOYSA-N |
| Mol Weight | 123.15 g/mol |
| Molecular Formula | C7H9NO |
| Exact Mass | 123.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FmxPsPfD383 |
|---|---|
| Name | N-Allyl 2-butynamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.068413913 u |
| Formula | C7H9NO |
| InChI | InChI=1S/C7H9NO/c1-3-5-7(9)8-6-4-2/h4H,2,6H2,1H3,(H,8,9) |
| InChIKey | ILBDFVRESQVNHT-UHFFFAOYSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | C(#CC)C(=O)NCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958586 |