| SpectraBase Spectrum ID |
IFb3EHOE4Pv |
| Name |
1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-9-methyl-1,3,6,8-undecatetraen-10-yn-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18O |
| InChI |
InChI=1S/C21H18O/c1-4-18(3)11-10-16-21(22)15-9-8-14-20-13-7-6-12-19(5-2)17-20/h1-2,6-16H,17H2,3H3/b14-8+,15-9+,16-10+,18-11+ |
| InChIKey |
ZPBIDLVURXORNN-KANOKRTGSA-N |
| Molecular Weight |
286.374 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C=C\C(\C=C\C=C\(C#C)C)=O |
| SPLASH |
splash10-014i-9020000000-f113b522b1c7e7102bb7 |
| Source of Spectrum |
AJ-68-3533-52 |
| Synonyms |
(1E,3E,6E,8E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-9-methyl-1,3,6,8-undecatetraen-10-yn-5-one |
| Wiley ID |
773488 |
