| SpectraBase Spectrum ID |
5r65EMkWGUj |
| Name |
(1E,4E)-1-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-5-(2-ethynylphenyl)-3-penta-1,4-dienone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H16O |
| InChI |
InChI=1S/C22H16O/c1-3-18-9-5-6-10-19(17-18)13-15-22(23)16-14-21-12-8-7-11-20(21)4-2/h1-2,5-16H,17H2/b15-13+,16-14+ |
| InChIKey |
LMNVGLKJJYOOPV-WXUKJITCSA-N |
| Molecular Weight |
296.369 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C(\C=C\c1c(C#C)cccc1)=O |
| SPLASH |
splash10-0udj-0090000000-41af45adf019439c9c02 |
| Source of Spectrum |
AJ-68-3533-35 |
| Synonyms |
(1E,4E)-1-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-5-(2-ethynylphenyl)penta-1,4-dien-3-one |
| Wiley ID |
773505 |
