| SpectraBase Compound ID | 2ra0xNPJ9C1 |
|---|---|
| InChI | InChI=1S/C7H11ClO/c1-4-5(9)6(8)7(4,2)3/h4,6H,1-3H3 |
| InChIKey | VJYQGFFRTRZHIM-UHFFFAOYSA-N |
| Mol Weight | 146.62 g/mol |
| Molecular Formula | C7H11ClO |
| Exact Mass | 146.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LpwiuHHCVJF |
|---|---|
| Name | 2-Chloro-3,3,4-trimethylcyclobutanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.049842673 u |
| Formula | C7H11ClO |
| InChI | InChI=1S/C7H11ClO/c1-4-5(9)6(8)7(4,2)3/h4,6H,1-3H3 |
| InChIKey | VJYQGFFRTRZHIM-UHFFFAOYSA-N |
| SMILES | C1(C(Cl)C(C1C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810525 |