| SpectraBase Spectrum ID |
GTcVdpF8Nhi |
| Name |
(Z)-5-Methyl-7-(2-phenylethynyl)-6-undecen-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.198365456 u |
| Formula |
C20H26O |
| InChI |
InChI=1S/C20H26O/c1-4-6-10-19(15-17(3)16-20(21)5-2)14-13-18-11-8-7-9-12-18/h7-9,11-12,15,17H,4-6,10,16H2,1-3H3/b19-15- |
| InChIKey |
RFZGXGZRBOKBFY-CYVLTUHYSA-N |
| Molecular Weight |
282.427 g/mol |
| SMILES |
C(#CC=1C=CC=CC1)\C(=C/C(CC(=O)CC)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897167 |
