| SpectraBase Spectrum ID |
39XrWqoBHlq |
| Name |
(1E,4E,6E)-1,7-bis(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-3-hepta-1,4,6-trienone |
| Alternate Name(s) |
(1E,4E,6E)-1,7-bis(6-ethynylcyclohepta-1,3,5-trien-1-yl)hepta-1,4,6-trien-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20O |
| InChI |
InChI=1S/C25H20O/c1-3-21-11-5-7-13-23(19-21)14-9-10-16-25(26)18-17-24-15-8-6-12-22(4-2)20-24/h1-2,5-18H,19-20H2/b14-9+,16-10+,18-17+ |
| InChIKey |
ZLVNUBGSTRGPHU-FOOWIEHXSA-N |
| Molecular Weight |
336.434 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C=C\C(\C=C\C1=CC=CC=C(C#C)C1)=O |
| SPLASH |
splash10-0a4i-9000000000-f5df791dc034cbb5fc74 |
| Source of Spectrum |
KC-0-3034-21 |
| Wiley ID |
784720 |
