| SpectraBase Spectrum ID |
1doQzHeld20 |
| Name |
1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-4,7-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)11-12-17(4)20(21)14-13-19-10-8-7-9-18(6-2)15-19/h1-2,7-14H,15H2,3-4H3/b14-13+,16-11+,17-12+ |
| InChIKey |
QVWOBWPOXQALIT-AYSTWKSGSA-N |
| Molecular Weight |
274.363 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(\C=C\C(\C(=C\C=C\(C#C)C)C)=O)C1 |
| SPLASH |
splash10-014i-9040000000-289e3e973d3e69da881d |
| Source of Spectrum |
AJ-68-3533-37 |
| Synonyms |
(1E,4E,6E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-4,7-dimethyl-1,4,6-nonatrien-8-yn-3-one |
| Wiley ID |
773504 |
