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(3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-one
SpectraBase Compound ID 7W9CMMgJHLJ
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
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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