| SpectraBase Spectrum ID |
DmefvBInIVz |
| Name |
(E)-4-(6-acetyl-1-cyclohepta-1,3,5-trienyl)-3-methyl-3-buten-2-one |
| Alternate Name(s) |
(E)-4-(6-acetylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one
(E)-4-(6-ethanoylcyclohepta-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 |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-10(11(2)15)8-13-6-4-5-7-14(9-13)12(3)16/h4-8H,9H2,1-3H3/b10-8+ |
| InChIKey |
ISHHMEKACXFMST-CSKARUKUSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
CC(\C(=C\C1=CC=CC=C(C1)C(=O)C)C)=O |
| SPLASH |
splash10-00xr-0970000000-403ff6522ee87eb2c88a |
| Source of Spectrum |
AJ-68-3531-40 |
| Wiley ID |
773510 |
