| SpectraBase Compound ID | 7Doibek851X |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-4-18(3)16-14-12-10-8-6-7-9-11-13-15-17-19(20)21-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | TWPSDSBUCWTKIS-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C19H38O2 |
| Exact Mass | 298.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KcMk4uukL41 |
|---|---|
| Name | Ethyl 14-methyl-hexadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.287180462 u |
| Formula | C19H38O2 |
| InChI | InChI=1S/C19H38O2/c1-4-18(3)16-14-12-10-8-6-7-9-11-13-15-17-19(20)21-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | TWPSDSBUCWTKIS-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCC(CC)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95081 |