| SpectraBase Compound ID | O7cLct56RO |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-6-20-18(19)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h15-17H,6-14H2,1-5H3 |
| InChIKey | RWKWAEYIRYLWMV-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36O2 |
| Exact Mass | 284.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13fpFM1F3ua |
|---|---|
| Name | Ethyl 4,8,12-trimethyl-tridecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.271530397 u |
| Formula | C18H36O2 |
| InChI | InChI=1S/C18H36O2/c1-6-20-18(19)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h15-17H,6-14H2,1-5H3 |
| InChIKey | RWKWAEYIRYLWMV-UHFFFAOYSA-N |
| SMILES | C(CC(CCCC(CCCC(C)C)C)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900804 |