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(3E,5E,7E,9E,11E)-13-(2,4,10-Trioxa-adamant-3-yl)-trideca-3,5,7,9,11-pentaen-2-one

View entire compound with spectra: 1 MS (GC)

(3E,5E,7E,9E,11E)-13-(2,4,10-Trioxa-adamant-3-yl)-trideca-3,5,7,9,11-pentaen-2-one
SpectraBase Compound ID CzoRV9JUU4z
InChI InChI=1S/C20H24O4/c1-16(21)11-9-7-5-3-2-4-6-8-10-12-20-22-17-13-18(23-20)15-19(14-17)24-20/h2-11,17-19H,12-15H2,1H3/b3-2+,6-4+,7-5+,10-8+,11-9+/t17-,18+,19?,20+
InChIKey LEVQHYUISGTUNQ-MJFMEHOVSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MeNsx0Egh6
Name (3E,5E,7E,9E,11E)-13-(2,4,10-Trioxa-adamant-3-yl)-trideca-3,5,7,9,11-pentaen-2-one
Alternate Name(s) (3E,5E,7E,9E,11E)-13-(2,4,10-trioxaadamantan-3-yl)trideca-3,5,7,9,11-pentaen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-16(21)11-9-7-5-3-2-4-6-8-10-12-20-22-17-13-18(23-20)15-19(14-17)24-20/h2-11,17-19H,12-15H2,1H3/b3-2+,6-4+,7-5+,10-8+,11-9+/t17-,18+,19?,20+
InChIKey LEVQHYUISGTUNQ-MJFMEHOVSA-N
Literature Reference DOI 10.1002/prac.19943360806
Molecular Weight 328.408 g/mol
SMILES CC(\C=C\C=C\C=C\C=C\C=C\C[C@]12O[C@@]3(C[C@@](CC(O2)C3)(O1)[H])[H])=O
SPLASH splash10-05r4-9301000000-ba75089d670e5d1a297f
Source of Spectrum JF-336-675-37e
Wiley ID 1789914