| SpectraBase Compound ID | EvmmJgyATPa |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-4-5-9-8(10)6-7(2)3/h4,6H,1,5H2,2-3H3,(H,9,10) |
| InChIKey | HBQMENUDTCWSMA-UHFFFAOYSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9LrGyrGTWLK |
|---|---|
| Name | but-2-Enoic acid, amide, 3-methyl-N-allyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-4-5-9-8(10)6-7(2)3/h4,6H,1,5H2,2-3H3,(H,9,10) |
| InChIKey | HBQMENUDTCWSMA-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C(C)(=CC(=O)NCC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892786 |