| SpectraBase Spectrum ID |
9XAxQAG98O5 |
| Name |
(E)-4-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-3-methyl-3-buten-2-one |
| Alternate Name(s) |
(E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14O |
| InChI |
InChI=1S/C14H14O/c1-4-13-7-5-6-8-14(10-13)9-11(2)12(3)15/h1,5-9H,10H2,2-3H3/b11-9+ |
| InChIKey |
IWYUYIZIHQBWKE-PKNBQFBNSA-N |
| Molecular Weight |
198.265 g/mol |
| SMILES |
C(\C(=C\C1=CC=CC=C(C#C)C1)C)(=O)C |
| SPLASH |
splash10-014j-0900000000-0016c6bb87f9363701df |
| Source of Spectrum |
AJ-68-3532-43 |
| Wiley ID |
773509 |
