| SpectraBase Spectrum ID |
7j1K8tIkSvQ |
| Name |
Cyclohexanebutanal, 2-methyl-3-oxo-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-9-10(5-2-3-8-12)6-4-7-11(9)13/h8-10H,2-7H2,1H3/t9-,10-/m1/s1 |
| InChIKey |
NQONHVHHNWFPMU-NXEZZACHSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(=O)[C@](C)([C@](CCCC=O)(CCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84529 |
