| SpectraBase Spectrum ID |
Kx1r0pfgTen |
| Name |
2-Cyclohexen-1-one, 6-ethyl-2-methyl-5-(1-methylethenyl)-, (5R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-5-10-11(8(2)3)7-6-9(4)12(10)13/h6,10-11H,2,5,7H2,1,3-4H3/t10?,11-/m0/s1 |
| InChIKey |
XMOHDOVVLKDMAS-DTIOYNMSSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C1(C([C@](C(=C)C)(CC=C1C)[H])CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846605 |
