| SpectraBase Compound ID | 2RGMoBRVTc7 |
|---|---|
| InChI | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3 |
| InChIKey | VBICKXHEKHSIBG-UHFFFAOYSA-N |
| Mol Weight | 358.6 g/mol |
| Molecular Formula | C21H42O4 |
| Exact Mass | 358.30831 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JuoX7oQu616 |
|---|---|
| Name | 1-Monostearin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.308309828 u |
| Formula | C21H42O4 |
| InChI | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3 |
| InChIKey | VBICKXHEKHSIBG-UHFFFAOYSA-N |
| Molecular Weight | 358.563 g/mol |
| SMILES | OCC(COC(CCCCCCCCCCCCCCCCC)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.991826 |