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(1R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one

View entire compound with spectra: 1 MS (GC)

(1R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID 3wrWVOiDOny
InChI InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+/t11-,12-,13-/m0/s1
InChIKey LYMNQFZEIGCRGT-DFIDTIBPSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZcNJdebVkD
Name (1R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
Alternate Name(s) Annuionone B (1R,5S,8S)-1,5-dimethyl-8-((E)-3-oxobut-1-en-1-yl)-6-oxabicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+/t11-,12-,13-/m0/s1
InChIKey LYMNQFZEIGCRGT-DFIDTIBPSA-N
Molecular Weight 222.284 g/mol
SMILES C1[C@]2(C)[C@](\C=C\C(C)=O)([C@](OC2)(C)CC1=O)[H]
SPLASH splash10-03di-0900000000-77d6dd408bd102f03664
Source of Spectrum A1-10-449/SMS12-1
Wiley ID 1759009