| SpectraBase Compound ID | BTjdsBNOTVa |
|---|---|
| InChI | InChI=1S/C11H18O/c1-10(2,3)9(12)5-6-11(4)7-8-11/h5-6H,7-8H2,1-4H3 |
| InChIKey | MLORIZUOQJTZID-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JuVZ9IuYcZG |
|---|---|
| Name | 4,4-Dimethyl-1-(1-methylcyclopropyl)-1-penten-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-10(2,3)9(12)5-6-11(4)7-8-11/h5-6H,7-8H2,1-4H3 |
| InChIKey | MLORIZUOQJTZID-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC1(CC1)C=CC(=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973191 |