SpectraBase Spectrum ID |
1hXVm0CaYo8 |
Name |
1-(2-Ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1-hexanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.193280075 u |
Formula |
C14H26O2 |
InChI |
InChI=1S/C14H26O2/c1-4-6-7-8-13(15)12-9-10-16-14(3,5-2)11-12/h12H,4-11H2,1-3H3 |
InChIKey |
NGFCCJPHTUMKQJ-UHFFFAOYSA-N |
Molecular Weight |
226.360 g/mol |
SMILES |
C(CCCCC)(=O)C1CC(CC)(C)OCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986101 |