| SpectraBase Compound ID | 8QBVfuMNq0P |
|---|---|
| InChI | InChI=1S/C6H6O/c7-6-2-1-4-3-5(4)6/h1-2,4-5H,3H2 |
| InChIKey | FBZNWJCSLIWABC-UHFFFAOYSA-N |
| Mol Weight | 94.11 g/mol |
| Molecular Formula | C6H6O |
| Exact Mass | 94.041865 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DyZFNMyEvzU |
|---|---|
| Name | Bicyclo[3.1.0]hex-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.041864812 u |
| Formula | C6H6O |
| InChI | InChI=1S/C6H6O/c7-6-2-1-4-3-5(4)6/h1-2,4-5H,3H2 |
| InChIKey | FBZNWJCSLIWABC-UHFFFAOYSA-N |
| Molecular Weight | 94.113 g/mol |
| SMILES | C1C2C(=O)C=CC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892324 |