| SpectraBase Spectrum ID |
4CyIe5f2ZAU |
| Name |
2(5H)-Oxoninone, 6,7,8,9-tetrahydro-3,4-dimethyl-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-8-6-4-3-5-7-12-10(11)9(8)2/h3-7H2,1-2H3/b9-8+ |
| InChIKey |
XKZVQXVETLLADT-CMDGGOBGSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
C1(\C(=C\(CCCCCO1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984867 |
