| SpectraBase Compound ID | 77CU4hpW48W |
|---|---|
| InChI | InChI=1S/C15H28O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h14H,2-13H2,1H3 |
| InChIKey | VPQWBNWSLZYYFH-UHFFFAOYSA-N |
| Mol Weight | 224.39 g/mol |
| Molecular Formula | C15H28O |
| Exact Mass | 224.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FVzrC6MqlMr |
|---|---|
| Name | 3-Methylcyclopentadecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.214015521 u |
| Formula | C15H28O |
| InChI | InChI=1S/C15H28O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h14H,2-13H2,1H3 |
| InChIKey | VPQWBNWSLZYYFH-UHFFFAOYSA-N |
| Molecular Weight | 224.388 g/mol |
| SMILES | C1(=O)CC(CCCCCCCCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863595 |