| SpectraBase Compound ID | A2mEZ6dVRxe |
|---|---|
| InChI | InChI=1S/C20H40O3/c1-18(2)15-13-11-9-7-5-4-6-8-10-12-14-16-19(21)17-20(22)23-3/h18-19,21H,4-17H2,1-3H3 |
| InChIKey | PYTNAEQRMXRCDN-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C20H40O3 |
| Exact Mass | 328.297745 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1xPtByIXZF1 |
|---|---|
| Name | 3-Hydroxy-17-methyl methyl octadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.297745145 u |
| Formula | C20H40O3 |
| InChI | InChI=1S/C20H40O3/c1-18(2)15-13-11-9-7-5-4-6-8-10-12-14-16-19(21)17-20(22)23-3/h18-19,21H,4-17H2,1-3H3 |
| InChIKey | PYTNAEQRMXRCDN-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCC(CC(=O)OC)O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919895 |