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(1R*,4R*,5S*)-4-Methyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
SpectraBase Compound ID 7sOMnMFfzZ9
InChI InChI=1S/C8H12O3/c1-5-4-10-8-3-6(9)2-7(5)11-8/h5,7-8H,2-4H2,1H3/t5-,7+,8-/m1/s1
InChIKey DXUVEDKKCVVSCC-MHSYXAOVSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UpqUrfIw77
Name (1R*,4R*,5S*)-4-Methyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
CAS Registry Number 91860-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-5-4-10-8-3-6(9)2-7(5)11-8/h5,7-8H,2-4H2,1H3/t5-,7+,8-/m1/s1
InChIKey DXUVEDKKCVVSCC-MHSYXAOVSA-N
Molecular Weight 156.181 g/mol
SMILES [C@]12(O[C@](CC(C2)=O)(OC[C@]1(C)[H])[H])[H]
SPLASH splash10-066r-9000000000-a4e738ca8a983432cc0a
Source of Spectrum C-107-1267-0
Synonyms (1R,4R,5S)-4-methyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
Wiley ID 1153409