| SpectraBase Spectrum ID |
6fO6vAbkP5F |
| Name |
6-Ethyl-5-methyl-5-(prop-1-en-2-yl)oct-3-yn-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-7-13(8-2)14(6,11(3)4)10-9-12(5)15/h13H,3,7-8H2,1-2,4-6H3 |
| InChIKey |
IKGGLCQZZSJNFK-UHFFFAOYSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
CC(C#CC(C(C)=C)(C(CC)CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952663 |
