| SpectraBase Compound ID | 4kD1CHVznde |
|---|---|
| InChI | InChI=1S/C9H14O/c1-4-7(2)9(3)6-5-8(9)10/h4H,5-6H2,1-3H3/b7-4- |
| InChIKey | LYGHDUWHUIHJTJ-DAXSKMNVSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CgTJJ5kRjxb |
|---|---|
| Name | Cyclobutanone, 2-methyl-2-(2-methyl-1-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-4-7(2)9(3)6-5-8(9)10/h4H,5-6H2,1-3H3/b7-4- |
| InChIKey | LYGHDUWHUIHJTJ-DAXSKMNVSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1(C(=O)CC1)(\C(=C/C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841165 |