| SpectraBase Compound ID | 5oB1EcxoEi2 |
|---|---|
| InChI | InChI=1S/C6H7NO/c1-7-5-3-2-4(5)6(7)8/h2-5H,1H3 |
| InChIKey | FUYSJCQQUNMNIX-UHFFFAOYSA-N |
| Mol Weight | 109.13 g/mol |
| Molecular Formula | C6H7NO |
| Exact Mass | 109.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3strEaQon3h |
|---|---|
| Name | 5-Methyl-6-keto-bicyclo(2.2.0)-5-aza-hex-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 109.052763848 u |
| Formula | C6H7NO |
| InChI | InChI=1S/C6H7NO/c1-7-5-3-2-4(5)6(7)8/h2-5H,1H3 |
| InChIKey | FUYSJCQQUNMNIX-UHFFFAOYSA-N |
| Molecular Weight | 109.128 g/mol |
| SMILES | CN1C2C=CC2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88624 |