| SpectraBase Compound ID | 7RsRcaPs3KD |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-6,8-9H,1-2H3 |
| InChIKey | RAKCCSZRGBZOEK-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LEUG2lBZNE5 |
|---|---|
| Name | N-Methyl-N-phenylbut-2-ynamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-6,8-9H,1-2H3 |
| InChIKey | RAKCCSZRGBZOEK-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C(C#CC)(=O)N(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949063 |