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(3aS,6aS)-2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
SpectraBase Compound ID 17mtRDsGuMH
InChI InChI=1S/C8H10O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey CRNNTLZNPCCYDD-WDSKDSINSA-N
Mol Weight 138.17 g/mol
Molecular Formula C8H10O2
Exact Mass 138.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7elDD9gtBnc
Name (3aS,6aS)-2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
Alternate Name(s) (3aS,6aS)-2,3,3a,5,6,6a-hexahydropentalene-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O2
InChI InChI=1S/C8H10O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey CRNNTLZNPCCYDD-WDSKDSINSA-N
Molecular Weight 138.166 g/mol
SMILES [C@@]12([C@@](C(=O)CC2)(CCC1=O)[H])[H]
SPLASH splash10-00m0-9400000000-97b8e0780b8173b13616
Source of Spectrum E1-46-20-11
Wiley ID 1554186