| SpectraBase Compound ID | 1NlYMwxZgq2 |
|---|---|
| InChI | InChI=1S/C7H8O/c1-5(2)6-3-4-7(6)8/h3-4H,1-2H3 |
| InChIKey | DZHWQCGHRGIFPZ-UHFFFAOYSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H8O |
| Exact Mass | 108.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3vUI3EdVlFa |
|---|---|
| Name | Isopropylidenecyclobutenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.057514877 u |
| Formula | C7H8O |
| InChI | InChI=1S/C7H8O/c1-5(2)6-3-4-7(6)8/h3-4H,1-2H3 |
| InChIKey | DZHWQCGHRGIFPZ-UHFFFAOYSA-N |
| Molecular Weight | 108.140 g/mol |
| SMILES | CC(C)=C1C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888936 |