| SpectraBase Compound ID | 2Klxvswtq1m |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17-2/h3-12H2,1-2H3 |
| InChIKey | PHDIUDLOLRVDEH-UHFFFAOYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C14H26O3 |
| Exact Mass | 242.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6DldsSs7PJj |
|---|---|
| Name | Methyl 5-oxotridecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.188194694 u |
| Formula | C14H26O3 |
| InChI | InChI=1S/C14H26O3/c1-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17-2/h3-12H2,1-2H3 |
| InChIKey | PHDIUDLOLRVDEH-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | C(CCC(OC)=O)C(=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988882 |