| SpectraBase Spectrum ID |
KNRDJvivrb |
| Name |
1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18O |
| InChI |
InChI=1S/C20H18O/c1-5-16(3)10-9-13-20(21)17(4)14-19-12-8-7-11-18(6-2)15-19/h1-2,7-14H,15H2,3-4H3/b13-9+,16-10+,17-14+ |
| InChIKey |
KATFBXCDSNTNFF-FPFMHKABSA-N |
| Molecular Weight |
274.363 g/mol |
| SMILES |
C(\C(=C\C1=CC=CC=C(C#C)C1)C)(\C=C\C=C\(C#C)C)=O |
| SPLASH |
splash10-004i-9000000000-2ab05dd63df2ee1e947d |
| Source of Spectrum |
AJ-68-3534-45 |
| Synonyms |
(1E,4E,6E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one |
| Wiley ID |
773503 |
