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(3aS,6aS)-1,4-diacetyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
SpectraBase Compound ID 9Le5i54zZA5
InChI InChI=1S/C12H14O4/c1-5(13)11-7-3-10(16)12(6(2)14)8(7)4-9(11)15/h7-8,11-12H,3-4H2,1-2H3/t7-,8-,11?,12?/m0/s1
InChIKey MBDFVNWSIXKNQG-DVXAYSFTSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrXN3WA5PmX
Name (3aS,6aS)-1,4-diacetyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-5(13)11-7-3-10(16)12(6(2)14)8(7)4-9(11)15/h7-8,11-12H,3-4H2,1-2H3/t7-,8-,11?,12?/m0/s1
InChIKey MBDFVNWSIXKNQG-DVXAYSFTSA-N
Molecular Weight 222.240 g/mol
SMILES [C@@]12([C@@](C(C(=O)C)C(C2)=O)(CC(C1C(=O)C)=O)[H])[H]
SPLASH splash10-0006-9720000000-c3d55659590c7add63a5
Source of Spectrum K1-2001-1418-9
Synonyms (3aS,6aS)-1,4-diacetyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-quinone (3aS,6aS)-1,4-diethanoyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
Wiley ID 814506