| SpectraBase Spectrum ID |
ERClPegTvoF |
| Name |
2-Cyclohexen-1-one, 3-hydroxy-2-(1-oxobutyl)-5-(tetrahydro-2H-pyran-4-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-2-3-12(16)15-13(17)8-11(9-14(15)18)10-4-6-19-7-5-10/h10-11,17H,2-9H2,1H3 |
| InChIKey |
UGKOWGUHNPAYKI-UHFFFAOYSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
OC1=C(C(CC(C2CCOCC2)C1)=O)C(CCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.912229 |
