| SpectraBase Spectrum ID |
A4aXXPKHsmm |
| Name |
Cyclohexanone, 2-ethyl-2,6-dimethyl-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.135765199 u |
| Formula |
C10H18O |
| InChI |
InChI=1S/C10H18O/c1-4-10(3)7-5-6-8(2)9(10)11/h8H,4-7H2,1-3H3/t8-,10+/m1/s1 |
| InChIKey |
SCRIFTYGACPQTF-SCZZXKLOSA-N |
| Molecular Weight |
154.253 g/mol |
| SMILES |
C1([C@](CCC[C@]1(C)[H])(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887084 |
