| SpectraBase Spectrum ID |
LxFSHgrOkMq |
| Name |
Cyclohexanone, 2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-10(14)7-9-13(4)11(15)6-5-8-12(13,2)3/h7,9H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey |
JZSQQLOCLXGZCS-VQHVLOKHSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1(\C=C\C(=O)C)(C(CCCC1=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952809 |
