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5-(2,4,10-trioxa-adamant-3-yl)-pent-3-en-2-one
SpectraBase Compound ID EmYNJaYL6m2
InChI InChI=1S/C12H16O4/c1-8(13)3-2-4-12-14-9-5-10(15-12)7-11(6-9)16-12/h2-3,9-11H,4-7H2,1H3/b3-2+/t9-,10+,11?,12+
InChIKey KRUMBRDQDXZCCM-YVGWYXOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQdhXClK8B7
Name 5-(2,4,10-trioxa-adamant-3-yl)-pent-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(13)3-2-4-12-14-9-5-10(15-12)7-11(6-9)16-12/h2-3,9-11H,4-7H2,1H3/b3-2+/t9-,10+,11?,12+
InChIKey KRUMBRDQDXZCCM-YVGWYXOYSA-N
Literature Reference DOI 10.1002/prac.19943360806
Molecular Weight 224.256 g/mol
SMILES CC(\C=C\C[C@]12O[C@@]3(C[C@@](CC(O2)C3)(O1)[H])[H])=O
SPLASH splash10-029t-9400000000-cec2dcac70c1ae3398e7
Source of Spectrum JF-336-674-37a
Synonyms (E)-5-(2,4,10-trioxaadamantan-3-yl)pent-3-en-2-one
Wiley ID 1789911