| SpectraBase Spectrum ID |
IbG36ea1ZZX |
| Name |
3-[(E)-6-(5-Methoxy-1-cyclohexenyl)-3-methylhex-3-enyl]-1-cyclohex-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-16(12-13-18-8-4-10-19(21)14-18)6-3-7-17-9-5-11-20(15-17)22-2/h6,9,14,20H,3-5,7-8,10-13,15H2,1-2H3/b16-6+ |
| InChIKey |
RGEVUXUQJZLMKW-OMCISZLKSA-N |
| SMILES |
C1(C=C(CCC1)CC\C(=C\CCC1=CCCC(C1)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950011 |
![3-[(E)-6-(5-methoxy-1-cyclohexenyl)-3-methylhex-3-enyl]-1-cyclohex-2-enone](/api/spectrum/IbG36ea1ZZX/structure.png?h=300&w=458 "3-[(E)-6-(5-methoxy-1-cyclohexenyl)-3-methylhex-3-enyl]-1-cyclohex-2-enone")
