![3-Azabicyclo[3.2.0]heptane-2,4-dione](/api/spectrum/8TC3zBD9seB/structure.png?h=300&w=458 "3-Azabicyclo[3.2.0]heptane-2,4-dione")
| SpectraBase Compound ID | BLgvvCKpbwr |
|---|---|
| InChI | InChI=1S/C6H7NO2/c8-5-3-1-2-4(3)6(9)7-5/h3-4H,1-2H2,(H,7,8,9) |
| InChIKey | WXTZWJOCJKKBJR-UHFFFAOYSA-N |
| Mol Weight | 125.13 g/mol |
| Molecular Formula | C6H7NO2 |
| Exact Mass | 125.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8TC3zBD9seB |
|---|---|
| Name | 3-Azabicyclo[3.2.0]heptane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.047678467 u |
| Formula | C6H7NO2 |
| InChI | InChI=1S/C6H7NO2/c8-5-3-1-2-4(3)6(9)7-5/h3-4H,1-2H2,(H,7,8,9) |
| InChIKey | WXTZWJOCJKKBJR-UHFFFAOYSA-N |
| Molecular Weight | 125.127 g/mol |
| SMILES | C1(NC(C2CCC12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969573 |