SpectraBase Spectrum ID |
3M7HQ32fx51 |
Name |
2-Ethenyl-2-(1-oxo-2-phenylethyl)cyclohexan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.146329882 u |
Formula |
C16H20O2 |
InChI |
InChI=1S/C16H20O2/c1-2-16(11-7-6-10-14(16)17)15(18)12-13-8-4-3-5-9-13/h2-5,8-9,14,17H,1,6-7,10-12H2/t14-,16+/m0/s1 |
InChIKey |
DSIQYPOOAZEAJT-GOEBONIOSA-N |
Molecular Weight |
244.334 g/mol |
SMILES |
[C@]1(C(CC2=CC=CC=C2)=O)(C=C)[C@@](O)(CCCC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842715 |