| SpectraBase Spectrum ID |
Gz8Fg9K5TR6 |
| Name |
cis-2-Tert-butyl-5-oxocyclohexanecarbaldehyde |
| 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/c1-11(2,3)10-5-4-9(13)6-8(10)7-12/h7-8,10H,4-6H2,1-3H3/t8-,10-/m0/s1 |
| InChIKey |
AOIXLMRRGOTMNI-WPRPVWTQSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
[C@@]1([C@@](CC(CC1)=O)(C=O)[H])(C(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991922 |
