| SpectraBase Compound ID | ESUiTxEeoBx |
|---|---|
| InChI | InChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h3-14H2,1-2H3 |
| InChIKey | WQTNJLRLUQMQEL-UHFFFAOYSA-N |
| Mol Weight | 270.41 g/mol |
| Molecular Formula | C16H30O3 |
| Exact Mass | 270.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CEd2F3YXc1M |
|---|---|
| Name | Ethyl 3-oxotetradecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.219494823 u |
| Formula | C16H30O3 |
| InChI | InChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h3-14H2,1-2H3 |
| InChIKey | WQTNJLRLUQMQEL-UHFFFAOYSA-N |
| Molecular Weight | 270.413 g/mol |
| SMILES | C(CC(CCCCCCCCCCC)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932826 |