| SpectraBase Spectrum ID |
1PxhvE6wagF |
| Name |
1,3,6,8-Undecatetraen-10-yn-5-one, 1-(2-ethynylphenyl)-6,9-dimethyl-, (E,E,E,Z)- |
| Alternate Name(s) |
(1E,3E,6E,8Z)-1-(2-ethynylphenyl)-6,9-dimethyl-1,3,6,8-undecatetraen-10-yn-5-one
1-(o-ethynylphenyl)-6,9-dimethylundeca-1,3,6,8-tetraen-10-yn-5-one |
| CAS Registry Number |
78072-20-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18O |
| InChI |
InChI=1S/C21H18O/c1-5-17(3)15-16-18(4)21(22)14-10-9-13-20-12-8-7-11-19(20)6-2/h1-2,7-16H,3-4H3/b13-9+,14-10+,17-15-,18-16+ |
| InChIKey |
VLXJVUNGSAXVRJ-WHFRCJFXSA-N |
| Molecular Weight |
286.374 g/mol |
| SMILES |
C(\C(=C\C=C/(C#C)C)C)(\C=C\C=C\c1c(C#C)cccc1)=O |
| SPLASH |
splash10-004i-0090000000-96725c006133e1a2529b |
| Source of Spectrum |
KC-1981-957-0 |
| Wiley ID |
1290459 |
