| SpectraBase Compound ID | DAuYiu60bHT |
|---|---|
| InChI | InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h3-13H2,1-2H3 |
| InChIKey | DTBSXIIDKUOHEN-UHFFFAOYSA-N |
| Mol Weight | 256.39 g/mol |
| Molecular Formula | C15H28O3 |
| Exact Mass | 256.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | oZxrUwBtEW |
|---|---|
| Name | Methyl 3-oxotetradecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.203844759 u |
| Formula | C15H28O3 |
| InChI | InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h3-13H2,1-2H3 |
| InChIKey | DTBSXIIDKUOHEN-UHFFFAOYSA-N |
| Molecular Weight | 256.386 g/mol |
| SMILES | C(CC(CCCCCCCCCCC)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852544 |