| SpectraBase Spectrum ID |
16PCn5w58oE |
| Name |
(E)-4-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-3-buten-2-one |
| Alternate Name(s) |
(E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)but-3-en-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O |
| InChI |
InChI=1S/C13H12O/c1-3-12-6-4-5-7-13(10-12)9-8-11(2)14/h1,4-9H,10H2,2H3/b9-8+ |
| InChIKey |
KBMZMLZMWLDPFV-CMDGGOBGSA-N |
| Molecular Weight |
184.238 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C(=O)C |
| SPLASH |
splash10-000x-0900000000-5b3bac9854c267d7c80a |
| Source of Spectrum |
AJ-68-3532-48 |
| Wiley ID |
773508 |
