SpectraBase Spectrum ID |
1sX7416Ys7U |
Name |
(3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H20O4 |
InChI |
InChI=1S/C16H20O4/c1-12(17)7-5-3-2-4-6-8-16-18-13-9-14(19-16)11-15(10-13)20-16/h2-7,13-15H,8-11H2,1H3/b3-2+,6-4+,7-5+/t13-,14+,15?,16+ |
InChIKey |
BVBUVXLJDLJIGL-NGSOQCHBSA-N |
Literature Reference DOI |
10.1002/prac.19943360806 |
Molecular Weight |
276.332 g/mol |
SMILES |
CC(\C=C\C=C\C=C\C[C@]12O[C@@]3(C[C@@](CC(O2)C3)(O1)[H])[H])=O |
SPLASH |
splash10-004l-9630000000-c6777a9d3dfc6754c999 |
Source of Spectrum |
JF-336-675-37c |
Synonyms |
(3E,5E,7E)-9-(2,4,10-trioxaadamantan-3-yl)nona-3,5,7-trien-2-one |
Wiley ID |
1789913 |