| SpectraBase Compound ID | 2Rg6HHjGhee |
|---|---|
| InChI | InChI=1S/C13H22O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h1-11H2 |
| InChIKey | YXRHKQPDROMYDX-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JCSWf1lJaKp |
|---|---|
| Name | 2-Methylenecyclododecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h1-11H2 |
| InChIKey | YXRHKQPDROMYDX-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C1(=O)C(=C)CCCCCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925272 |