| SpectraBase Compound ID | 80L8II6aawq |
|---|---|
| InChI | InChI=1S/C6H11NO/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H2,7,8)/b5-3+ |
| InChIKey | VAZCHDZAXOUQBU-HWKANZROSA-N |
| Mol Weight | 113.16 g/mol |
| Molecular Formula | C6H11NO |
| Exact Mass | 113.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2YoV2PlsqxP |
|---|---|
| Name | Carbromal-m P262 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.084063977 u |
| Formula | C6H11NO |
| InChI | InChI=1S/C6H11NO/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H2,7,8)/b5-3+ |
| InChIKey | VAZCHDZAXOUQBU-HWKANZROSA-N |
| Molecular Weight | 113.160 g/mol |
| SMILES | C(\C(C(=O)N)=C/C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931468 |