| SpectraBase Spectrum ID |
FOND7dGyRQY |
| Name |
1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-7-methyl-1,4,6-nonatrien-8-yn-3-one |
| Alternate Name(s) |
(1E,4E,6E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-7-methyl-1,4,6-nonatrien-8-yn-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16O |
| InChI |
InChI=1S/C19H16O/c1-4-16(3)9-8-12-19(20)14-13-18-11-7-6-10-17(5-2)15-18/h1-2,6-14H,15H2,3H3/b12-8+,14-13+,16-9+ |
| InChIKey |
OFIAMAVEZPWIMM-XTGGDFDKSA-N |
| Molecular Weight |
260.336 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C(\C=C\C=C\(C#C)C)=O |
| SPLASH |
splash10-0w29-0090000000-3bb75a5603eebc0c75c9 |
| Source of Spectrum |
AJ-68-3533-33 |
| Wiley ID |
773506 |
