| SpectraBase Compound ID | LbfUGM4Qch1 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-3-9(2)6-4-5-8(10)7-9/h3H,1,4-7H2,2H3 |
| InChIKey | MIRPXLBBGORDCA-UHFFFAOYSA-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 | 9h7HnCH9ASj |
|---|---|
| Name | Cyclohexanone, 3-vinyl-3-methyl- |
| 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/c1-3-9(2)6-4-5-8(10)7-9/h3H,1,4-7H2,2H3 |
| InChIKey | MIRPXLBBGORDCA-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1C(C)(CC(CC1)=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976095 |