| SpectraBase Compound ID | G5R6LBQSjsy |
|---|---|
| InChI | InChI=1S/C18H32O3/c1-21-18(20)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17(19)15-16/h16H,2-15H2,1H3 |
| InChIKey | CRUPDMWVGBAYCI-UHFFFAOYSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C18H32O3 |
| Exact Mass | 296.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GetKCUkV67a |
|---|---|
| Name | Methyl 3-oxocyclohexadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.235144887 u |
| Formula | C18H32O3 |
| InChI | InChI=1S/C18H32O3/c1-21-18(20)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17(19)15-16/h16H,2-15H2,1H3 |
| InChIKey | CRUPDMWVGBAYCI-UHFFFAOYSA-N |
| SMILES | C(C1CC(=O)CCCCCCCCCCCCC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948049 |