| SpectraBase Spectrum ID |
IFeWcjQojam |
| Name |
(+)-(1'S,3'S,6'S,E)-1-(2',2',3',6'-tetramethylcyclohexyl)-hex-1-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h10-13,15H,6-9H2,1-5H3/b11-10+/t12-,13-,15+/m0/s1 |
| InChIKey |
DNMWURVBURMZIA-JPZPJLSBSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C(=O)(\C=C\[C@]1(C([C@](CC[C@@]1(C)[H])(C)[H])(C)C)[H])CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911037 |
