| SpectraBase Spectrum ID |
JyyGmpuOXaF |
| Name |
(1E,4E)-1-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-5-(2-ethynylphenyl)-2-methyl-3-penta-1,4-dienone |
| Alternate Name(s) |
(1E,4E)-1-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-5-(2-ethynylphenyl)-2-methyl-penta-1,4-dien-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H18O |
| InChI |
InChI=1S/C23H18O/c1-4-19-10-6-7-11-20(17-19)16-18(3)23(24)15-14-22-13-9-8-12-21(22)5-2/h1-2,6-16H,17H2,3H3/b15-14+,18-16+ |
| InChIKey |
YGCLDDBNTFZHSD-IFABNPKTSA-N |
| Molecular Weight |
310.396 g/mol |
| SMILES |
C(\C(=C\C1=CC=CC=C(C#C)C1)C)(\C=C\c1c(C#C)cccc1)=O |
| SPLASH |
splash10-014i-0093000000-77f8d10b543d8a49eb86 |
| Source of Spectrum |
AJ-68-3533-47 |
| Wiley ID |
773490 |
