| SpectraBase Spectrum ID |
2EdccsuhAGT |
| Name |
6-(3,3-Dimethylbut-1-ynyl)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-12(2,3)6-7-14-10(15)8-13(4,5)9-11(14)16-14/h11H,8-9H2,1-5H3 |
| InChIKey |
BIVRFMLINKPOFB-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C12(OC2CC(CC1=O)(C)C)C#CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936456 |
![6-(3,3-Dimethylbut-1-ynyl)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptan-5-one](/api/spectrum/2EdccsuhAGT/structure.png?h=300&w=458 "6-(3,3-Dimethylbut-1-ynyl)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptan-5-one")
