| SpectraBase Spectrum ID |
JNHZi22TB0n |
| Name |
(E,Z) and (E,E)-1,6-Bis(5-Oxohepta-1,3-dien-6-ynyl)cyclohepta-1,3,5-triene |
| Alternate Name(s) |
(4E,6Z)-7-{6-[(1E,3E)-5-oxo-1,3-heptadien-6-ynyl]-1,3,5-cycloheptatrien-1-yl}-4,6-heptadien-1-yn-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16O2 |
| InChI |
InChI=1S/C21H16O2/c1-3-20(22)15-9-7-13-18-11-5-6-12-19(17-18)14-8-10-16-21(23)4-2/h1-2,5-16H,17H2/b13-7-,14-8+,15-9+,16-10+ |
| InChIKey |
HGFURKNBAPDPHB-MOLMHRLVSA-N |
| Molecular Weight |
300.357 g/mol |
| SMILES |
C(#C)C(\C=C\C=C\C1=CC=CC=C(C1)\C=C/C=C/C(C#C)=O)=O |
| SPLASH |
splash10-0udi-9006000000-de87815769d1f032b30f |
| Source of Spectrum |
KC-0-1465-28 |
| Wiley ID |
781319 |
