| SpectraBase Spectrum ID |
LkfjKtYqUyG |
| Name |
1,2-bis(Oxidanyl)henicosan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.313395209 u |
| Formula |
C21H42O3 |
| InChI |
InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22/h21-22,24H,2-19H2,1H3 |
| InChIKey |
YWDWIDGRXAGHGY-UHFFFAOYSA-N |
| Molecular Weight |
342.564 g/mol |
| SMILES |
C(C(=O)CCCCCCCCCCCCCCCCC)C(O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835277 |
