| SpectraBase Compound ID | 8ITrNGQdQIY |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-15-11-7-4-2-3-5-9-13-16(17)18-14-10-6-8-12-15/h15H,2-14H2,1H3 |
| InChIKey | BCIIYHRDVGRFHR-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Iz939jFU69 |
|---|---|
| Name | 11-Methyl-1-oxacyclohexadecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-15-11-7-4-2-3-5-9-13-16(17)18-14-10-6-8-12-15/h15H,2-14H2,1H3 |
| InChIKey | BCIIYHRDVGRFHR-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C1(CCCCCCCCC(CCCCCO1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864574 |