| SpectraBase Spectrum ID |
3XPrbLYnJJB |
| Name |
Perhydro-2-oxo-3-stearoylfuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.297745145 u |
| Formula |
C22H40O3 |
| InChI |
InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)20-18-19-25-22(20)24/h20H,2-19H2,1H3 |
| InChIKey |
DHBNKJDUOCTGCK-UHFFFAOYSA-N |
| Molecular Weight |
352.559 g/mol |
| SMILES |
C1CC(C(CCCCCCCCCCCCCCCCC)=O)C(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884985 |
