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Sorbivinetone
SpectraBase Compound ID MIt9QPrcmX
InChI InChI=1S/C18H24O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7-9,11,13,19,22H,6,10H2,1-4H3/b7-5+,9-8+,14-12-/t11-,13+,17+,18+/m1/s1
InChIKey OYVREVFYRWCTER-CQRLLJJFSA-N
Mol Weight 320.38 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76B8iVF6SSL
Name Sorbivinetone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7-9,11,13,19,22H,6,10H2,1-4H3/b7-5+,9-8+,14-12-/t11-,13+,17+,18+/m1/s1
InChIKey OYVREVFYRWCTER-CQRLLJJFSA-N
Molecular Weight 320.385 g/mol
SMILES O\C(=C/1C([C@]2(C([C@]([C@@]1(C[C@@]2(OCC)[H])[H])(O)C)=O)C)=O)\C=C\C=C\C
SPLASH splash10-006t-3791000000-a7a622f4d4a6f9169446
Source of Spectrum KC-61-7263-3
Synonyms (2S,6Z)-8-ethoxy-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylbicyclo[2.2.2]octane-3,5-dione (2S,6Z)-8-ethoxy-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethyl-bicyclo[2.2.2]octane-3,5-dione (2S,6Z)-8-ethoxy-2,4-dimethyl-2-oxidanyl-6-[(2E,4E)-1-oxidanylhexa-2,4-dienylidene]bicyclo[2.2.2]octane-3,5-dione
Wiley ID 1629949