| SpectraBase Spectrum ID |
3iLEUQtXd40 |
| Name |
(1E,3E,6E,8E)-1,9-bis(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-5-nona-1,3,6,8-tetraenone |
| Alternate Name(s) |
(1E,3E,6E,8E)-1,9-bis(6-ethynylcyclohepta-1,3,5-trien-1-yl)nona-1,3,6,8-tetraen-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H22O |
| InChI |
InChI=1S/C27H22O/c1-3-23-13-5-7-15-25(21-23)17-9-11-19-27(28)20-12-10-18-26-16-8-6-14-24(4-2)22-26/h1-2,5-20H,21-22H2/b17-9+,18-10+,19-11+,20-12+ |
| InChIKey |
KOHXRGDGHBLRAT-WITZSUAWSA-N |
| Molecular Weight |
362.472 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C=C\C(\C=C\C=C\C1=CC=CC=C(C#C)C1)=O |
| SPLASH |
splash10-0udi-0903000000-0872297eda2d12c1dbb4 |
| Source of Spectrum |
KC-0-3034-23 |
| Wiley ID |
784718 |
