| SpectraBase Spectrum ID |
22VP6OAq8yv |
| Name |
3,3-Dimethyl-1-(6-methyl-tetrahydropyran-2-yl)-butan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-9-6-5-7-10(14-9)8-11(13)12(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey |
MJJIXHQWUWAZAV-UHFFFAOYSA-N |
| Molecular Weight |
198.306 g/mol |
| SMILES |
CC(C(CC1OC(C)CCC1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97687 |
