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(1R,4S,5S)-4-Acetyloxymethyl-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
SpectraBase Compound ID DiTObbFe11
InChI InChI=1S/C10H14O4/c1-6(11)13-5-8-10(2)4-3-7(10)9(12)14-8/h7-8H,3-5H2,1-2H3/t7-,8+,10-/m0/s1
InChIKey GAUAXZJFRRYMGK-XKSSXDPKSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9aFDW43blH
Name (1R,4S,5S)-4-Acetyloxymethyl-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
Alternate Name(s) [(1S,2S,5R)-1-methyl-4-oxo-3-oxabicyclo[3.2.0]hept-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-6(11)13-5-8-10(2)4-3-7(10)9(12)14-8/h7-8H,3-5H2,1-2H3/t7-,8+,10-/m0/s1
InChIKey GAUAXZJFRRYMGK-XKSSXDPKSA-N
Molecular Weight 198.218 g/mol
SMILES [C@]12([C@@](C(=O)O[C@@]2(COC(=O)C)[H])([H])CC1)C
SPLASH splash10-000x-9200000000-fabbf6358d5b659564d6
Source of Spectrum F-52-1276-28
Wiley ID 794895